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563-45-1 Usage

Chemical Properties

Colorless, extremely volatile liquid or gas; disagreeable odor.Soluble in alcohol; insoluble in water.

Physical properties

Colorless, flammable liquid or gas with a disagreeable odor

Uses

Different sources of media describe the Uses of 563-45-1 differently. You can refer to the following data:
1. 3-Methyl-1-butene has been used in asymmetric total synthesis of (?)-Linderol A, a potent inhibitor of melanin biosynthesis of cultured B-16 melanoma cells.
2. Organic synthesis, high-octane fuel manufacture.

Definition

ChEBI: An alkene that is but-1-ene carrying a methyl substituent at position 3.

General Description

A colorless volatile liquid with a disagreeable odor. Insoluble in water and less dense than water. Vapors heavier than air. Flash point below 0°F. Used to make other chemicals.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

3-Methyl-1-butene may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas. In the presence of various catalysts (such as acids) or initiators, may undergo exothermic addition polymerization reactions.

Hazard

Highly flammable, dangerous fire and explosion risk, explosive limits 1.6–9.1%.

Health Hazard

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Safety Profile

Very dangerous fire hazard when exposed to heat, flame, or oxidizers. Explosive in the form of vapor when exposed to heat or flame. To fight fire, use alcohol foam, mist, spray, dry chemical, CO2. When heated to decomposition it emits acrid smoke and irritating fumes. See also 2-METHYL-1 BUTENE.

Source

Schauer et al. (1999) reported 3-methyl-1-butene in a diesel-powered medium-duty truck exhaust at an emission rate of 160 μg/km. Schauer et al. (2001) measured organic compound emission rates for volatile organic compounds, gas-phase semi-volatile organic compounds, and particle-phase organic compounds from the residential (fireplace) combustion of pine, oak, and eucalyptus. The gas-phase emission rate of 3-methyl-1-butene was 6.9 mg/kg of pine burned. Emission rates of 3-methyl-1-butene were not measured during the combustion of oak and eucalyptus. California Phase II reformulated gasoline contained 3-methyl-1-butene at a concentration of 380 mg/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 0.35 and 22.5 mg/km, respectively (Schauer et al., 2002).

Environmental fate

Photolytic. The following rate constants were reported for the reaction of 3-methyl-1-butene and OH radicals in the atmosphere: 3.0 x 10-11 cm3/molecule?sec (Atkinson et al., 1979); 6.07 to 9.01 x 10-11 cm3/molecule?sec (Atkinson, 1985); 3.18 x 10-11 cm3/molecule?sec (Atkinson, 1990). Chemical/Physical. Complete combustion in air yields carbon dioxide and water.

Check Digit Verification of cas no

The CAS Registry Mumber 563-45-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,6 and 3 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 563-45:
(5*5)+(4*6)+(3*3)+(2*4)+(1*5)=71
71 % 10 = 1
So 563-45-1 is a valid CAS Registry Number.
InChI:InChI=1/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3

563-45-1 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • TCI America

  • (M0177)  3-Methyl-1-butene (in cylinder without valve) [To use this product charged in cylinder, a valve is required which is sold separately (Product Code:V0030)]  >95.0%(GC)

  • 563-45-1

  • 100g

  • 1,790.00CNY

  • Detail
  • TCI America

  • (M2563)  3-Methyl-1-butene (ca. 15% in Dichloromethane, ca. 2.5mol/L)  

  • 563-45-1

  • 100mL

  • 574.00CNY

  • Detail
  • TCI America

  • (M2563)  3-Methyl-1-butene (ca. 15% in Dichloromethane, ca. 2.5mol/L)  

  • 563-45-1

  • 500mL

  • 1,790.00CNY

  • Detail
  • TCI America

  • (M2564)  3-Methyl-1-butene (ca. 16.5% in N,N-Dimethylformamide, ca. 2mol/L)  

  • 563-45-1

  • 100mL

  • 590.00CNY

  • Detail
  • TCI America

  • (M2564)  3-Methyl-1-butene (ca. 16.5% in N,N-Dimethylformamide, ca. 2mol/L)  

  • 563-45-1

  • 500mL

  • 1,990.00CNY

  • Detail
  • TCI America

  • (M2565)  3-Methyl-1-butene (ca. 12.5% in Tetrahydrofuran, ca. 1.5mol/L)  

  • 563-45-1

  • 100mL

  • 459.00CNY

  • Detail
  • TCI America

  • (M2565)  3-Methyl-1-butene (ca. 12.5% in Tetrahydrofuran, ca. 1.5mol/L)  

  • 563-45-1

  • 500mL

  • 1,390.00CNY

  • Detail
  • Sigma-Aldrich

  • (66070)  3-Methyl-1-butene  analytical standard

  • 563-45-1

  • 66070-10ML

  • 925.47CNY

  • Detail

563-45-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-methylbut-1-ene

1.2 Other means of identification

Product number -
Other names 1-isopropylethylene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Fuels and fuel additives,Intermediates
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:563-45-1 SDS

563-45-1Synthetic route

(E)-trimethyl-(β-methylcrotyl)silane
60171-30-4

(E)-trimethyl-(β-methylcrotyl)silane

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
With tetrahydrofuran at 60℃; for 3h; Heating;100%
ethene
74-85-1

ethene

A

WCl2{P(CH3)(C6H5)2}2(O)(C2H4)
102307-86-8

WCl2{P(CH3)(C6H5)2}2(O)(C2H4)

B

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
With acetone In benzene-d6 2 mol equiv. acetone and 2 mol equiv. C2H4 condensed into NMR tube contg. 1 mol equiv. soln. W-complex/C6D6 at -196°C, tube sealed; not isolated, detected by NMR-spect.; other uncharacterized products also present;A 94%
B 31%
i-Amyl alcohol
123-51-3

i-Amyl alcohol

A

2-methyl-but-2-ene
513-35-9

2-methyl-but-2-ene

B

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
Ba-compounds on Al2O3 at 340℃; Product distribution / selectivity; Gas phase;A 7%
B 91.1%
aluminium oxide SP 537 at 280℃; under 1125.11 Torr; Product distribution / selectivity;
With aluminum oxide at 250 - 325℃; Temperature;
With aluminum oxide at 325℃; Flow reactor;A 10 %Chromat.
B 86.2 %Chromat.
2-Methylbutyraldehyde
96-17-3, 57456-98-1

2-Methylbutyraldehyde

isoprene
78-79-5

isoprene

A

3-methyl-butan-2-one
563-80-4

3-methyl-butan-2-one

B

2-methyl-but-2-ene
513-35-9

2-methyl-but-2-ene

C

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

D

pivalaldehyde
630-19-3

pivalaldehyde

E

C2-C4 hydrocarbons

C2-C4 hydrocarbons

Conditions
ConditionsYield
With steam; calcium phosphate catalyst TU 103-134-72 at 380℃; Product distribution; Rate constant; Kinetics; other conditions - var. space velocity of adding reagent, var. dilution with steam, var. temp., var. contact time, other object - activation energy data;;A 8.2%
B n/a
C n/a
D 0.6%
E n/a
(E)-trimethyl-(β-methylcrotyl)silane
60171-30-4

(E)-trimethyl-(β-methylcrotyl)silane

A

2-methyl-but-2-ene
513-35-9

2-methyl-but-2-ene

B

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
With potassium tert-butylate In N,N,N,N,N,N-hexamethylphosphoric triamide at 60℃; for 3h;A 85%
B 5%
(4S)-4-isopropyl-2-phenyl-4,5-dihydro-1λ6,3-thiazole 1,1-dioxide
190260-50-5

(4S)-4-isopropyl-2-phenyl-4,5-dihydro-1λ6,3-thiazole 1,1-dioxide

A

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

B

benzonitrile
100-47-0

benzonitrile

Conditions
ConditionsYield
at 600℃; under 0.001 Torr;A 68%
B 83%
(bis(triphenylphosphine))-3,3-dimethylpalladacyclobutane

(bis(triphenylphosphine))-3,3-dimethylpalladacyclobutane

A

2,2-dimethylpropane
463-82-1

2,2-dimethylpropane

B

ethene
74-85-1

ethene

C

1,1-dimethylcyclopropane
1630-94-0

1,1-dimethylcyclopropane

D

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

E

isobutene
115-11-7

isobutene

Conditions
ConditionsYield
In toluene inert atmosphere, thermal decompn. (85°C); GLC;A 5%
B 5%
C 74%
D 4%
E 12%
triethylbenzylammonium ethanolate
95903-96-1

triethylbenzylammonium ethanolate

i-pentyl bromide
107-82-4

i-pentyl bromide

A

1-ethoxy-3-methyl-butane
628-04-6

1-ethoxy-3-methyl-butane

B

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
at 20 - 25℃; for 1h;A 62%
B 2.2%
Dimethylallene
598-25-4

Dimethylallene

A

2-methyl-but-2-ene
513-35-9

2-methyl-but-2-ene

B

methylbutane
78-78-4

methylbutane

C

2-Methyl-1-butene
563-46-2

2-Methyl-1-butene

D

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.133333h; Product distribution; Ambient temperature; various time;A 57.5%
B 1.2%
C 0.1%
D 25.2%
2-chloro-3-methyl-butan-1-ol
55068-34-3

2-chloro-3-methyl-butan-1-ol

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
With n-butyllithium; naphthalen-1-yl-lithium at -100℃;54%
bis(triphenylphosphine)-3,3-dimethylnickelacyclobutane

bis(triphenylphosphine)-3,3-dimethylnickelacyclobutane

A

2,2-dimethylpropane
463-82-1

2,2-dimethylpropane

B

ethene
74-85-1

ethene

C

1,1-dimethylcyclopropane
1630-94-0

1,1-dimethylcyclopropane

D

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

E

isobutene
115-11-7

isobutene

Conditions
ConditionsYield
With triphenylphosphine In toluene inert atmosphere, thermal decompn. (24°C, 5-fold molar excess PPh3); GLC;A 2%
B 28%
C 11%
D 7%
E 52%
In toluene inert atmosphere, thermal decompn. (24°C); GLC;A 6%
B 15%
C 47%
D 6%
E 26%
(bis(diphenylphosphino)ethane)-3,3-dimethylnickelacyclobutane

(bis(diphenylphosphino)ethane)-3,3-dimethylnickelacyclobutane

A

2,2-dimethylpropane
463-82-1

2,2-dimethylpropane

B

ethene
74-85-1

ethene

C

1,1-dimethylcyclopropane
1630-94-0

1,1-dimethylcyclopropane

D

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

E

isobutene
115-11-7

isobutene

Conditions
ConditionsYield
In toluene inert atmosphere, thermal decompn. (60°C); GLC;A 5%
B 14%
C 51%
D 3%
E 27%
isopentyl iodide
541-28-6

isopentyl iodide

A

1-ethoxy-3-methyl-butane
628-04-6

1-ethoxy-3-methyl-butane

B

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
With triethylbenzylammonium ethanolate at 20 - 25℃; for 1h;A 50%
B 19.8%
ethanol
64-17-5

ethanol

4-bromo-benzenesulfonic acid 3-(dimethyl-phenyl-silanyl)-2,2-dimethyl-propyl ester

4-bromo-benzenesulfonic acid 3-(dimethyl-phenyl-silanyl)-2,2-dimethyl-propyl ester

A

1-(dimethylphenylsilyl)-3-methyl-2-butene
63972-14-5

1-(dimethylphenylsilyl)-3-methyl-2-butene

B

3-(dimethylphenylsilyl)-1,1-dimethyl-1-propanol
18410-34-9

3-(dimethylphenylsilyl)-1,1-dimethyl-1-propanol

C

4-(dimethylphenylsilyl)-2-methyl-1-butene
81906-05-0

4-(dimethylphenylsilyl)-2-methyl-1-butene

D

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

E

(3-ethoxy-3-methyl-butyl)-dimethyl-phenyl-silane

(3-ethoxy-3-methyl-butyl)-dimethyl-phenyl-silane

Conditions
ConditionsYield
In water at 50℃; Rate constant;A 49%
B 24%
C 12%
D 3%
E 12%
2,2,2-trifluoroethanol
75-89-8

2,2,2-trifluoroethanol

4-bromo-benzenesulfonic acid 3-(dimethyl-phenyl-silanyl)-2,2-dimethyl-propyl ester

4-bromo-benzenesulfonic acid 3-(dimethyl-phenyl-silanyl)-2,2-dimethyl-propyl ester

A

1-(dimethylphenylsilyl)-3-methyl-2-butene
63972-14-5

1-(dimethylphenylsilyl)-3-methyl-2-butene

B

3-(dimethylphenylsilyl)-1,1-dimethyl-1-propanol
18410-34-9

3-(dimethylphenylsilyl)-1,1-dimethyl-1-propanol

C

4-(dimethylphenylsilyl)-2-methyl-1-butene
81906-05-0

4-(dimethylphenylsilyl)-2-methyl-1-butene

D

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

E

dimethyl-[3-methyl-3-(2,2,2-trifluoro-ethoxy)-butyl]-phenyl-silane

dimethyl-[3-methyl-3-(2,2,2-trifluoro-ethoxy)-butyl]-phenyl-silane

Conditions
ConditionsYield
In water at 50℃; Rate constant;A 47%
B 8%
C 7%
D 18%
E 20%
cyclopentadienylirondicarbonyl hydride
35913-82-7

cyclopentadienylirondicarbonyl hydride

isoprene
78-79-5

isoprene

A

2-methyl-but-2-ene
513-35-9

2-methyl-but-2-ene

B

cyclopentadienyl iron(II) dicarbonyl dimer
38117-54-3

cyclopentadienyl iron(II) dicarbonyl dimer

C

(η5-cyclopentadienyl)Fe(CO)2(CH2CH=C(CH3)2)
38905-70-3

(η5-cyclopentadienyl)Fe(CO)2(CH2CH=C(CH3)2)

D

2-Methyl-1-butene
563-46-2

2-Methyl-1-butene

E

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
In pentane under N2, stirring at room temp, the react. was complete within 20-30 min; evapn. (vac.), chromy. on alumina (eluent pentane for the hydrometalated products, and more polar solvents for the dimer), the org. products identiefied by GC and NMR;A n/a
B 46%
C 19%
D n/a
E n/a
(Z)-pent-2-ene
627-20-3

(Z)-pent-2-ene

A

methane
34557-54-5

methane

B

butene-2
107-01-7

butene-2

C

ethane
74-84-0

ethane

D

1-penten
109-67-1

1-penten

E

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

F

buta-1,3-diene
106-99-0

buta-1,3-diene

Conditions
ConditionsYield
hydrogen sulfide at 469.9℃; Rate constant; Kinetics; Product distribution; mechanism; effects of temperature, concentration; further products;A 43.3%
B 2.9%
C 1.6%
D 4.5%
E 0.5%
F 39.5%
isoprene
78-79-5

isoprene

A

2-Methyl-1-butene
563-46-2

2-Methyl-1-butene

B

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
With hydrogen; potassium; magnesium oxide at 99.9℃;A 8.8%
B 41.2%
With tri-1-napthylphosphine; hydrogen In dichloromethane-d2 at 50℃; under 3750.38 Torr; for 240h; Glovebox; Inert atmosphere; Sealed tube;A 82 %Spectr.
B 8 %Spectr.
Methylenetriphenylphosphorane
19493-09-5

Methylenetriphenylphosphorane

OMo(NNCH-i-Pr)(S2CN(Et)2)2

OMo(NNCH-i-Pr)(S2CN(Et)2)2

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
for 24h; Ambient temperature;40%
isoprene
78-79-5

isoprene

A

2-methyl-but-2-ene
513-35-9

2-methyl-but-2-ene

B

methylbutane
78-78-4

methylbutane

C

2-Methyl-1-butene
563-46-2

2-Methyl-1-butene

D

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.116667h; Product distribution; Ambient temperature; various time;A 38.5%
B 0.8%
C 20.5%
D 22%
With hydrogen; Pd2Cl2<<(EtO)2PO>2H>2 In ethanol at 20℃; Product distribution; influence of reaction time on pruduct distribution;
With hydrogen Product distribution; Rate constant; various Ni-catalysts (Ni-P, Ni-B, Raney nickel), temperatures;
2-isopropyl-5-methyl-2,3-dihydro-thiophene
75066-71-6

2-isopropyl-5-methyl-2,3-dihydro-thiophene

dimethyl acetylenedicarboxylate
762-42-5

dimethyl acetylenedicarboxylate

A

5-methyl-thiophene-2,3-dicarboxylic acid dimethyl ester
75067-12-8

5-methyl-thiophene-2,3-dicarboxylic acid dimethyl ester

B

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
In benzene at 80℃;A 37%
B n/a
methylbutane
78-78-4

methylbutane

A

2-methyl-but-2-ene
513-35-9

2-methyl-but-2-ene

B

penta-1,3-diene
504-60-9

penta-1,3-diene

C

cyclopenta-1,3-diene
542-92-7

cyclopenta-1,3-diene

D

2-Methyl-1-butene
563-46-2

2-Methyl-1-butene

E

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

F

pentane
109-66-0

pentane

G

isoprene
78-79-5

isoprene

Conditions
ConditionsYield
With platinum-aluminum catalyst at 600℃; Gas phase;A n/a
B n/a
C n/a
D n/a
E n/a
F n/a
G 28.72%
isobutene
115-11-7

isobutene

A

1-butylene
106-98-9

1-butylene

B

(Z)-2-Butene
590-18-1

(Z)-2-Butene

C

2-methyl-but-2-ene
513-35-9

2-methyl-but-2-ene

D

Z-piperylene
1574-41-0

Z-piperylene

E

1-methylbuta-1,3-diene
2004-70-8

1-methylbuta-1,3-diene

F

propene
187737-37-7

propene

G

methane
34557-54-5

methane

H

trans-2-Butene
624-64-6

trans-2-Butene

I

(Z)-pent-2-ene
627-20-3

(Z)-pent-2-ene

J

(E)-pent-2-ene
646-04-8

(E)-pent-2-ene

K

ethane
74-84-0

ethane

L

propane
74-98-6

propane

M

Isobutane
75-28-5

Isobutane

N

methylbutane
78-78-4

methylbutane

O

ethene
74-85-1

ethene

P

1-penten
109-67-1

1-penten

Q

Cyclopentane
287-92-3

Cyclopentane

R

2-Methyl-1-butene
563-46-2

2-Methyl-1-butene

S

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

T

cyclopentene
142-29-0

cyclopentene

U

n-butane
106-97-8

n-butane

V

pentane
109-66-0

pentane

Conditions
ConditionsYield
CBV1502 at 579.84℃; under 900.09 Torr; Product distribution / selectivity;A 2.6%
B 2.4%
C 1.29%
D 0.05%
E 0.03%
F 24.95%
G 0.73%
H 3.19%
I 0.32%
J 0.58%
K 0.36%
L 2.08%
M 2.15%
N 0.34%
O 9.61%
P 0.23%
Q 0.4%
R 0.71%
S 0.14%
T 0.14%
U 1.8%
V 0.16%
CBV28014 at 509.84℃; under 900.09 Torr; Product distribution / selectivity;A 6.71%
B 7.3%
C 5.62%
D 0.02%
E 0.03%
F 23.29%
G 0.09%
H 9.97%
I 1.1%
J 2.06%
K 0.07%
L 1.24%
M 1.95%
N 0.59%
O 3.25%
P 0.7%
Q 0.31%
R 2.72%
S 0.47%
T 0.21%
U 1.37%
V 0.26%
isoprene
78-79-5

isoprene

A

2-methyl-but-2-ene
513-35-9

2-methyl-but-2-ene

B

2-Methyl-1-butene
563-46-2

2-Methyl-1-butene

C

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
With hydrogen; 1-n-butyl-3-methylimidazolium hexafluoroantimonate; [(bis(diphenylphosphino)ethane)Rh(norbornadiene)][PF6]A 23%
B 22%
C 10%
With hydrogen; potassium cyanide; potassium hydroxide; potassium chloride; β‐cyclodextrin; cobalt(II) chloride In benzene under 760 Torr; for 10h; Ambient temperature; Yield given. Yields of byproduct given;
With sodium tetrahydroborate; complex of Pd with (C2H5O)2P(O)Cl In ethanol at 20℃; for 0.0666667h; Yield given;
(R)-3-Benzyl-4-isopropyl-1,1-dioxo-1λ6-thiazolidin-2-one

(R)-3-Benzyl-4-isopropyl-1,1-dioxo-1λ6-thiazolidin-2-one

A

1,3-dibenzylurea
1466-67-7

1,3-dibenzylurea

B

N-benzylidene benzylamine
780-25-6

N-benzylidene benzylamine

C

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

D

benzonitrile
100-47-0

benzonitrile

E

1,1'-(1,2-ethanediyl)bisbenzene
103-29-7

1,1'-(1,2-ethanediyl)bisbenzene

F

isobutyraldehyde
78-84-2

isobutyraldehyde

Conditions
ConditionsYield
at 650℃; under 0.001 - 0.002 Torr; for 2.77778E-06h; Product distribution; other products of flash vacuum pyrolysis;A 10%
B 7%
C 12%
D 16%
E 6%
F 5%
3-methyl-1-butyl acetate
123-92-2

3-methyl-1-butyl acetate

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
at 750℃; under 0.007 Torr;15%
at 500℃;
at 600℃;
at 700℃; im Stickstoffstrom an Glaswolle;
at 500℃; Pyrolysis;
propene
187737-37-7

propene

A

1,4-Pentadiene
591-93-5

1,4-Pentadiene

B

methane
34557-54-5

methane

C

propane
74-98-6

propane

D

1-penten
109-67-1

1-penten

E

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

F

cyclopropane
75-19-4

cyclopropane

Conditions
ConditionsYield
at -78.1℃; Product distribution; excited by the impact of low-energy electrons;A 0.12%
B 0.57%
C 0.99%
D 0.094%
E 0.032%
F 0.21%
diethyl sulfate
64-67-5

diethyl sulfate

isopentyl ether
544-01-4

isopentyl ether

A

(+-)-5-methyl-3-hexanol
623-55-2

(+-)-5-methyl-3-hexanol

B

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
at 195℃;
2-methyl-but-2-ene
513-35-9

2-methyl-but-2-ene

A

2-Methyl-1-butene
563-46-2

2-Methyl-1-butene

B

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
With aluminum oxide
at 250 - 400℃; an Al2O3 oder Al2O3-Mischkatalysatoren;
2-methyl-but-2-ene
513-35-9

2-methyl-but-2-ene

A

1-penten
109-67-1

1-penten

B

2-Methyl-1-butene
563-46-2

2-Methyl-1-butene

C

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

D

2-pentene
109-68-2

2-pentene

Conditions
ConditionsYield
at 200 - 380℃; Gleichgewichtsbestimmungen bei der Umlagerung ueber Silicagel;
tetrafluoroboric acid diethyl ether
67969-82-8

tetrafluoroboric acid diethyl ether

(η5-C5H5)(Me)(NO)(PPh3)rhenium(II)

(η5-C5H5)(Me)(NO)(PPh3)rhenium(II)

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

{(η5-C5H5)Re(NO)(PPh3)(H2CCHCH(CH3)2)}(BF4)

{(η5-C5H5)Re(NO)(PPh3)(H2CCHCH(CH3)2)}(BF4)

Conditions
ConditionsYield
With C6H5Cl In chlorobenzene addn. of HBF4*Et2O to mixt. of the rhenium complex and C6H5Cl (under N2, -45°C, with stirring, 15 min), addn. of excess 3-methyl-but-1-ene, after 30 min cold bath removed, stirred (20 h); mixt. filtered into hexane, ppt. collected, washed with pentane, dried in vac.; 2 diastereomers: (RS,SR)/(RR,SS) = 62:38;99%
With CH2Cl2 In dichloromethane addn. of HBF4*Et2O to mixt. of the rhenium complex and CH2Cl2 (NMR tube, under N2, -80°C, shaken), addn. of 3-methyl-but-1-ene at -78°C, allowed to warm to 20°C, kept at room temp. (2 d); mixt. filtered, addn. of hexane to the filtrate, ppt. collected, chromy. (silica gel, acetone/CH2Cl2); elem. anal.; 2 diastereomers: (RS,SR)/(RR,SS) = 67:33;59%
[(C5(CH3)5)2Y(CH(CH3)CH2CH3)]
503835-80-1, 399042-79-6

[(C5(CH3)5)2Y(CH(CH3)CH2CH3)]

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

[(C5(CH3)5)2Y(CH2CH2CH(CH3)2)]
379737-96-9, 399042-75-2

[(C5(CH3)5)2Y(CH2CH2CH(CH3)2)]

Conditions
ConditionsYield
In not given byproducts: 2-butene; at -60°C;99%
bis[bis(pentamethylcyclopentadienyl)(μ-hydride)yttrium]

bis[bis(pentamethylcyclopentadienyl)(μ-hydride)yttrium]

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

[(C5(CH3)5)2Y(CH2CH2CH(CH3)2)]
379737-96-9, 399042-75-2

[(C5(CH3)5)2Y(CH2CH2CH(CH3)2)]

Conditions
ConditionsYield
In further solvent(s) 1:1 methylcyclohexane-d14 : pentane-d12, -78°C, few min; not sepd., detected by NMR spectra;99%
3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

1,2-dibromo-3-methylbutane
10288-13-8

1,2-dibromo-3-methylbutane

Conditions
ConditionsYield
With bromine In chloroform at -65℃;95%
With bromine In dichloromethane for 1h;86.9%
With bromine
ethyl 5,7-dimethoxy-2-oxo-2H-chromene-3-carboxylate
82235-61-8

ethyl 5,7-dimethoxy-2-oxo-2H-chromene-3-carboxylate

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

ethyl rac-(2aS,8bS)-1,8b-dihydro-1-(1-methylethyl)-6,8-dimethoxy-3-oxo-2H-benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylate

ethyl rac-(2aS,8bS)-1,8b-dihydro-1-(1-methylethyl)-6,8-dimethoxy-3-oxo-2H-benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylate

Conditions
ConditionsYield
In benzene Irradiation;94%
3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

(3R,4R)-5-(tert-butyldimethylsiloxy)-3,4-(isopropylidenedioxy)pent-1-ene
188567-96-6

(3R,4R)-5-(tert-butyldimethylsiloxy)-3,4-(isopropylidenedioxy)pent-1-ene

tert-Butyl-[(4R,5R)-2,2-dimethyl-5-((E)-3-methyl-but-1-enyl)-[1,3]dioxolan-4-ylmethoxy]-dimethyl-silane
870093-65-5

tert-Butyl-[(4R,5R)-2,2-dimethyl-5-((E)-3-methyl-but-1-enyl)-[1,3]dioxolan-4-ylmethoxy]-dimethyl-silane

Conditions
ConditionsYield
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride In dichloromethane at 40℃; for 38h;94%
sodium aluminum tetrahydride

sodium aluminum tetrahydride

diethylaluminium chloride
96-10-6

diethylaluminium chloride

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

diisoamylethylaluminum
569660-11-3

diisoamylethylaluminum

Conditions
ConditionsYield
In toluene byproducts: LiCl; NaAlH4 loaded in a vertical-type ball mill under Ar or N2; toluene added; mixt. agitated for 10 min at 70°C; mixt. of Et22AlCl with olefin (NaAlH4:Et2AlCl:olefin=1.04:1.0:4.5) added; mixt. agitated for 1.5 h at 100°C; cooled; suspn. filtered off under Ar; solvent and olefin removed (vac.);elem. anal.;93%
3-chloro-cyclohexene
2441-97-6

3-chloro-cyclohexene

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

(-)-3-isopentylcyclohex-1-ene

(-)-3-isopentylcyclohex-1-ene

Conditions
ConditionsYield
Stage #1: 3-Methyl-1-butene With copper(l) iodide; Schwartz's reagent; (3,5-dioxa-4-phospha-cyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)-bis-(1-phenyl-ethyl)-amine In dichloromethane; chloroform at 20℃; for 0.4h;
Stage #2: 3-chloro-cyclohexene In dichloromethane; chloroform
93%
sodium aluminum tetrahydride

sodium aluminum tetrahydride

diethylaluminium chloride
96-10-6

diethylaluminium chloride

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

isoamylethylaluminum hydride
569660-12-4

isoamylethylaluminum hydride

Conditions
ConditionsYield
In toluene byproducts: LiCl; NaAlH4 loaded in a vertical-type ball mill under Ar or N2; toluene added; mixt. agitated for 10 min at 70°C; mixt. of Et22AlCl with olefin (NaAlH4:Et2AlCl:olefin=1.04:1.0:1.98) added; mixt. agitated for 1.5 h at 100°C; cooled; suspn. filtered off under Ar; solvent and olefin removed (vac.);elem. anal.;92.2%
carbon monoxide
201230-82-2

carbon monoxide

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

A

(2s)-(+)-2,3-dimethyl-1-butanal
73739-24-9

(2s)-(+)-2,3-dimethyl-1-butanal

B

(R)-2,3-dimethylbutanal
49642-48-0

(R)-2,3-dimethylbutanal

C

isocaproic aldehyde
1119-16-0

isocaproic aldehyde

Conditions
ConditionsYield
With acetylacetonatodicarbonylrhodium(l); hydrogen; (R,S)-binaphos In benzene under 76000 Torr; Yields of byproduct given;A n/a
B n/a
C 92%
With acetylacetonatodicarbonylrhodium(l); hydrogen; (R,S)-binaphos In benzene under 76000 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts;A n/a
B n/a
C 92%
3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

2-chloro-3-methyl-1-(pentafluoro-λ6-sulfanyl)butane
1263301-68-3

2-chloro-3-methyl-1-(pentafluoro-λ6-sulfanyl)butane

Conditions
ConditionsYield
Stage #1: 3-Methyl-1-butene With pentafluorosulfanyl chloride In dichloromethane at -40℃;
Stage #2: With triethyl borane In hexane; dichloromethane at -40 - 20℃;
Stage #3: With water; sodium hydrogencarbonate In hexane; dichloromethane
92%
piperidine
110-89-4

piperidine

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

phenylacetylene
536-74-3

phenylacetylene

4-(1-isopropyl-3-phenyl-2-propynyl)piperidine
93477-21-5

4-(1-isopropyl-3-phenyl-2-propynyl)piperidine

Conditions
ConditionsYield
With polystyrene supported 1,2,3-triazolyl N-methylimidazolyl silver bromide complex In dichloromethane at 20℃; for 12h; Schlenk technique;92%
3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

diethylazodicarboxylate
1972-28-7

diethylazodicarboxylate

Diethyl 1-(3-methyl-2-buten-1-yl)-1,2-hydrazinedicarboxylate

Diethyl 1-(3-methyl-2-buten-1-yl)-1,2-hydrazinedicarboxylate

Conditions
ConditionsYield
With tin(IV) chloride In dichloromethane at -60℃; for 0.0833333h;91%
3-benzyloxycarbonyl-5,7-dimethoxycoumarin
856438-71-6

3-benzyloxycarbonyl-5,7-dimethoxycoumarin

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

benzyl 1,8b-dihydro-6,8-dimethoxy-1-(1-methylethyl)-3-oxo-2H-benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylate

benzyl 1,8b-dihydro-6,8-dimethoxy-1-(1-methylethyl)-3-oxo-2H-benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylate

Conditions
ConditionsYield
In benzene for 24h; Irradiation;91%
(2S,3R,4S,5R)-2,3,4,5-tetra(benzyloxy)-N-((S)-2-oxoazepa-3-yl)hept-6-enamide
1417606-44-0

(2S,3R,4S,5R)-2,3,4,5-tetra(benzyloxy)-N-((S)-2-oxoazepa-3-yl)hept-6-enamide

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

(2S,3R,4S,5R,E)-2,3,4,5-tetra(benzyloxy)-8-methyl-N-((S)-2-oxoazepan-3-yl)non-6-enamide
1417606-45-1

(2S,3R,4S,5R,E)-2,3,4,5-tetra(benzyloxy)-8-methyl-N-((S)-2-oxoazepan-3-yl)non-6-enamide

Conditions
ConditionsYield
With Hoveyda-Grubbs catalyst second generation In dichloromethane for 24h; Reflux;90%
(2R,3R)-3-(tert-Butyl-dimethyl-silanyloxy)-3-((4S,5R)-2,2-dimethyl-5-vinyl-[1,3]dioxolan-4-yl)-2-methoxy-N-((S)-2-oxo-azepan-3-yl)-propionamide
870093-45-1

(2R,3R)-3-(tert-Butyl-dimethyl-silanyloxy)-3-((4S,5R)-2,2-dimethyl-5-vinyl-[1,3]dioxolan-4-yl)-2-methoxy-N-((S)-2-oxo-azepan-3-yl)-propionamide

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

(2R,3R)-3-(tert-Butyl-dimethyl-silanyloxy)-3-[(4S,5R)-2,2-dimethyl-5-((E)-3-methyl-but-1-enyl)-[1,3]dioxolan-4-yl]-2-methoxy-N-((S)-2-oxo-azepan-3-yl)-propionamide

(2R,3R)-3-(tert-Butyl-dimethyl-silanyloxy)-3-[(4S,5R)-2,2-dimethyl-5-((E)-3-methyl-but-1-enyl)-[1,3]dioxolan-4-yl]-2-methoxy-N-((S)-2-oxo-azepan-3-yl)-propionamide

Conditions
ConditionsYield
[1,3-bis-(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(O-isopropoxyphenylmethylene)ruthenium In dichloromethane at 40℃;89%
(2R,3R,4S,5R)-2,3,4,5-tetra(benzyloxy)-N-((S)-2-oxoazepan-3-yl)hept-6-enamide
1417606-39-3

(2R,3R,4S,5R)-2,3,4,5-tetra(benzyloxy)-N-((S)-2-oxoazepan-3-yl)hept-6-enamide

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

(2R,3R,4S,5R,E)-2,3,4,5-tetra(benzyloxy)-8-methyl-N-((S)-2-oxoazepan-3-yl)non-6-enamide
1417606-40-6

(2R,3R,4S,5R,E)-2,3,4,5-tetra(benzyloxy)-8-methyl-N-((S)-2-oxoazepan-3-yl)non-6-enamide

Conditions
ConditionsYield
With Hoveyda-Grubbs catalyst second generation In dichloromethane for 24h; Reflux;89%
tert-butyl 5,7-dimethoxycoumarin-3-carboxylate
856438-65-8

tert-butyl 5,7-dimethoxycoumarin-3-carboxylate

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

tert-butyl 1,8b-dihydro-6,8-dimethoxy-1-(1-methylethyl)-3-oxo-2H-benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylate

tert-butyl 1,8b-dihydro-6,8-dimethoxy-1-(1-methylethyl)-3-oxo-2H-benzo[b]cyclobuta[d]pyran-2a(3H)-carboxylate

Conditions
ConditionsYield
In benzene for 24h; Irradiation;88%
(2S,3R,4S,5R)-3,4,5-tris(benzyloxy)-2-methoxy-N-((S)-2-oxoazepan-3-yl)hept-6-enamide
1417606-35-9

(2S,3R,4S,5R)-3,4,5-tris(benzyloxy)-2-methoxy-N-((S)-2-oxoazepan-3-yl)hept-6-enamide

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

(2S,3R,4S,5R,E)-3,4,5-tris(benzyloxy)-2-methoxy-8-methyl-N-((S)-2-oxoazepan-3-yl)non-6-enamide
1417606-36-0

(2S,3R,4S,5R,E)-3,4,5-tris(benzyloxy)-2-methoxy-8-methyl-N-((S)-2-oxoazepan-3-yl)non-6-enamide

Conditions
ConditionsYield
With Hoveyda-Grubbs catalyst second generation In dichloromethane for 24h; Reflux;88%
(2R,3S,4R)-2,3,4-tris(benzyloxy)-N-((S)-2-oxoazepan-3-yl)hex-5-enamide
1417606-49-5

(2R,3S,4R)-2,3,4-tris(benzyloxy)-N-((S)-2-oxoazepan-3-yl)hex-5-enamide

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

(2R,3S,4R,E)-2,3,4-tris(benzyloxy)-7-methyl-N-((S)-2-oxoazepan-3-yl)oct-5-enamide
1417606-52-0

(2R,3S,4R,E)-2,3,4-tris(benzyloxy)-7-methyl-N-((S)-2-oxoazepan-3-yl)oct-5-enamide

Conditions
ConditionsYield
With Hoveyda-Grubbs catalyst second generation In dichloromethane for 24h; Reflux;88%
(2S,3S,4R)-2,3,4-tris(benzyloxy)-N-((S)-2-oxoazepan-3-yl)hex-5-enamide
1417606-50-8

(2S,3S,4R)-2,3,4-tris(benzyloxy)-N-((S)-2-oxoazepan-3-yl)hex-5-enamide

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

(2S,3S,4R,E)-2,3,4-tris(benzyloxy)-7-methyl-N-((S)-2-oxoazepan-3-yl)oct-5-enamide
1417606-53-1

(2S,3S,4R,E)-2,3,4-tris(benzyloxy)-7-methyl-N-((S)-2-oxoazepan-3-yl)oct-5-enamide

Conditions
ConditionsYield
With Hoveyda-Grubbs catalyst second generation In dichloromethane for 24h; Reflux;88%
ethyl 10'-formyl-9'-(3-methoxypropoxy)-2'-oxo-2',7'dihydrospiro[cyclobutane-1,6'-pyrido[2,1-a]isoquinoline]-3'-carboxylate

ethyl 10'-formyl-9'-(3-methoxypropoxy)-2'-oxo-2',7'dihydrospiro[cyclobutane-1,6'-pyrido[2,1-a]isoquinoline]-3'-carboxylate

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

3'-(ethoxycarbonyl)-9'-(3-methoxypropoxy)-2'-oxo-2',7'-dihydrospiro[cyclobutane-1,6'-pyrido[2,1-a]isoquinoline]-10'-carboxylic acid

3'-(ethoxycarbonyl)-9'-(3-methoxypropoxy)-2'-oxo-2',7'-dihydrospiro[cyclobutane-1,6'-pyrido[2,1-a]isoquinoline]-10'-carboxylic acid

Conditions
ConditionsYield
With sodium chlorite; sodium dihydrogenphosphate In tetrahydrofuran; tert-butyl alcohol at 0℃; for 0.25h;88%
3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

α-bromoacetophenone
70-11-1

α-bromoacetophenone

2-(3-methylbut-2-enylsulfonyl)-1-phenylethanone
1235335-05-3

2-(3-methylbut-2-enylsulfonyl)-1-phenylethanone

Conditions
ConditionsYield
Stage #1: 3-Methyl-1-butene With sulfur dioxide; boron trichloride In dichloromethane at -196 - -20℃; for 3h;
Stage #2: With sodium hydroxide In dichloromethane at 5 - 20℃;
Stage #3: α-bromoacetophenone With tetrabutyl-ammonium chloride In dichloromethane at 20℃; for 12h;
87%
3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

N-sulfinyl-p-toluenesulfonamide
4104-47-6

N-sulfinyl-p-toluenesulfonamide

N-(3-Methyl-2-butenylsulfinyl)-p-toluolsulfonamid
75668-50-7

N-(3-Methyl-2-butenylsulfinyl)-p-toluolsulfonamid

Conditions
ConditionsYield
In toluene at 20℃; for 18h;85%
1,1,1,3,3,3-hexafluoroisopropyl iodide
4141-91-7

1,1,1,3,3,3-hexafluoroisopropyl iodide

3-Methyl-1-butene
563-45-1

3-Methyl-1-butene

1,1,1-Trifluoro-4-iodo-5-methyl-2-(trifluoromethyl)hexane
141810-08-4

1,1,1-Trifluoro-4-iodo-5-methyl-2-(trifluoromethyl)hexane

Conditions
ConditionsYield
With 2,2'-azobis(isobutyronitrile) at 80℃; for 10h;84%

563-45-1Relevant articles and documents

-

Yokoyama

, p. 2975 (1970)

-

-

Nakano,Y. et al.

, p. 2833 - 2836 (1972)

-

-

Taylor,Simons

, p. 453,455,459,462 (1971)

-

CATALYTIC HYDROCARBON DEHYDROGENATION

-

Paragraph 0056; 0122; 0123, (2021/03/13)

A catalyst for dehydrogenation of hydrocarbons includes a support including zirconium oxide and Linde type L zeolite (L-zeolite). A concentration of the zirconium oxide in the catalyst is in a range of from 0.1 weight percent (wt. %) to 20 wt. %. The catalyst includes from 5 wt. % to 15 wt. % of an alkali metal or alkaline earth metal. The catalyst includes from 0.1 wt. % to 10 wt. % of tin. The catalyst includes from 0.1 wt. % to 8 wt. % of a platinum group metal. The alkali metal or alkaline earth metal, tin, and platinum group metal are disposed on the support.

Competitive adsorptions between thiophenic compounds over a CoMoS/Al2O3 catalyst under deep HDS of FCC gasoline

dos Santos, Alan Silva,Girard, Etienne,Leflaive, Philibert,Brunet, Sylvette

, p. 292 - 298 (2018/12/11)

The transformation of various model sulfur compounds (2-methylthiophene: 2MT, 3-methylthiophene: 3MT and benzothiophene: BT) representative of sulfur compounds in FCC gasoline was investigated over a CoMoS/Al2O3 catalyst. More specifically, a quantitative reactivity scale was established with BT being more reactive than 3MT and 2MT. In mixture, their reactivity was reduced due to the presence of the other sulfur compound, the scale of reactivity being preserved. BT strongly inhibits the transformation of 2MT. With a single kinetic model based on a Langmuir Hinshelwood formalism, kinetic and adsorption parameters were calculated and the results explained by mutual competitive adsorption between 2MT and BT with a higher adsorption constant for BT compared to that of 2MT.

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