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563-79-1 Usage

General Description

2,3-Dimethyl-2-butene, also known as tetramethylethylene, is a colorless liquid with a molecular formula C6H12. It is a member of the butene family, which consists of hydrocarbons with a double bond between two carbon atoms. 2,3-Dimethyl-2-butene is primarily used as a precursor in the production of various chemicals and polymers, such as plasticizers, antioxidants, and surfactants. It is also utilized as a solvent in some industrial processes. Additionally, this compound has applications in the synthesis of pharmaceuticals and agrochemicals. It is important to handle 2,3-Dimethyl-2-butene with caution, as it is flammable and can pose health risks if not handled properly.

Check Digit Verification of cas no

The CAS Registry Mumber 563-79-1 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, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 563-79:
(5*5)+(4*6)+(3*3)+(2*7)+(1*9)=81
81 % 10 = 1
So 563-79-1 is a valid CAS Registry Number.
InChI:InChI=1/C6H12/c1-5(2)6(3)4/h1-4H3

563-79-1 Well-known Company Product Price

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  • Alfa Aesar

  • (A13201)  Tetramethylethylene, 97%   

  • 563-79-1

  • 5g

  • 193.0CNY

  • Detail
  • Alfa Aesar

  • (A13201)  Tetramethylethylene, 97%   

  • 563-79-1

  • 25g

  • 640.0CNY

  • Detail
  • Alfa Aesar

  • (A13201)  Tetramethylethylene, 97%   

  • 563-79-1

  • 100g

  • 2361.0CNY

  • Detail

563-79-1SDS

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 Tetramethylethylene

1.2 Other means of identification

Product number -
Other names 2-Butene, 2,3-dimethyl-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
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:563-79-1 SDS

563-79-1Synthetic route

2,3-Dimethyl-1-butene
563-78-0

2,3-Dimethyl-1-butene

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

Conditions
ConditionsYield
aluminum oxide at -0.1℃; for 0.166667h;95%
x In nitromethane at 25℃; for 0.25h;88%
NiX(21) zeolite at -0.1℃; Rate constant; or ZnX(21) zeolite;
anthracene
120-12-7

anthracene

3,3'-bis(3-phenyl-1,1,2,2-tetramethyl-3-silacyclopropane)
188754-05-4

3,3'-bis(3-phenyl-1,1,2,2-tetramethyl-3-silacyclopropane)

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

3,3,4,4-Tetramethyl-1,2-diphenyl-3,4-dihydro-[1,2]disilete

3,3,4,4-Tetramethyl-1,2-diphenyl-3,4-dihydro-[1,2]disilete

C

C32H32Si2

C32H32Si2

Conditions
ConditionsYield
In benzene at 150℃; for 2h;A 70%
B n/a
C 85%
benzaldehyde
100-52-7

benzaldehyde

acetone
67-64-1

acetone

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

(2-methyl-1-propenyl)-benzene
768-49-0

(2-methyl-1-propenyl)-benzene

C

stilbene
588-59-0

stilbene

Conditions
ConditionsYield
With tin(IV) chloride; zinc In tetrahydrofuran at 64 - 66℃; for 1h; McMurry Reaction; Inert atmosphere;A n/a
B 85%
C n/a
acetophenone
98-86-2

acetophenone

acetone
67-64-1

acetone

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

α,β,β-trimethylstyrene
769-57-3

α,β,β-trimethylstyrene

C

2,3-diphenyl-2-butene
2510-98-7

2,3-diphenyl-2-butene

Conditions
ConditionsYield
With tin(IV) chloride; zinc In tetrahydrofuran at 64 - 66℃; for 1h; McMurry Reaction; Inert atmosphere;A n/a
B 82%
C n/a
acetone
67-64-1

acetone

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

Conditions
ConditionsYield
With tin(IV) chloride; zinc In tetrahydrofuran at 64 - 66℃; McMurry Reaction; Inert atmosphere;80%
With tungsten(VI) chloride In tetrahydrofuran Ambient temperature; electrolysis;6%
With tetrahydrofuran; titanium(II) hydride; magnesium chloride In tetrahydrofuran at -68 - 20℃;64 % Chromat.
benzophenone
119-61-9

benzophenone

acetone
67-64-1

acetone

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

2-methyl-1,1-diphenylpropene
781-33-9

2-methyl-1,1-diphenylpropene

C

1,1,2,2-tetraphenylethylene
632-51-9

1,1,2,2-tetraphenylethylene

Conditions
ConditionsYield
With tin(IV) chloride; zinc In tetrahydrofuran at 64 - 66℃; for 1h; McMurry Reaction; Inert atmosphere;A n/a
B 80%
C n/a
hexamethylsilirane
55644-09-2

hexamethylsilirane

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

Conditions
ConditionsYield
In benzene at 73℃; for 15h;77%
4,4,5,5-tetramethylethylene sulphate
52393-63-2

4,4,5,5-tetramethylethylene sulphate

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 20℃; Product distribution; electrolysis, oth. solvent, var. cathodes;66%
hexamethylsilirane
55644-09-2

hexamethylsilirane

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

octamethyl-1,2-disilacyclobutane
62346-42-3

octamethyl-1,2-disilacyclobutane

Conditions
ConditionsYield
In benzene at 70℃; for 18h;A 62%
B 38%
2,3-dimethyl-buta-1,3-diene
513-81-5

2,3-dimethyl-buta-1,3-diene

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

Conditions
ConditionsYield
With hydrogen; Et4N60%
With bis(pentamethylcyclopentadienyl)titanium(III) hydride; hydrogen In (2)H8-toluene at 80℃; for 40h; Sealed tube;20%
With diethyl ether; ammonia; sodium
propene
187737-37-7

propene

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

2-methyl-2-pentene
625-27-4

2-methyl-2-pentene

C

2-Methyl-1-pentene
763-29-1

2-Methyl-1-pentene

D

4-methyl-2-pentene
4461-48-7

4-methyl-2-pentene

E

4-Methyl-1-pentene
691-37-2

4-Methyl-1-pentene

F

2,3-Dimethyl-1-butene
563-78-0

2,3-Dimethyl-1-butene

G

1-hexene 2.2.percent.

1-hexene 2.2.percent.

Conditions
ConditionsYield
diethylaluminium chloride In benzene at 50℃; under 6840 Torr; for 2h; Product distribution; 0 - 60 deg C, 1 - 32 h, influence of the catalysts on the yields;A 5.4%
B 3.2%
C 18.4%
D 58.2%
E 10.2%
F 2.1%
G n/a
(η5-pentamethylcyclopentadienyl)hafnium(2,3-dimethyl-1,3-butadiene)chloride
87050-44-0

(η5-pentamethylcyclopentadienyl)hafnium(2,3-dimethyl-1,3-butadiene)chloride

hydrogen
1333-74-0

hydrogen

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

tetrakis{(pentamethylcyclopentadienyl)hafnium dihydride chloride}*(toluene)0.5
113180-42-0

tetrakis{(pentamethylcyclopentadienyl)hafnium dihydride chloride}*(toluene)0.5

C

2,3-dimethylbutane
79-29-8

2,3-dimethylbutane

Conditions
ConditionsYield
In toluene A pressure vessel is filled with a soln. of (C5Me5)Hf(C6H10)Cl in toluene and charged with 10 atm of H2, reaction mixture is stirred overnight at 70°C under N2.; Excess H2 is released, hot soln. is transferred into a Schlenk vessel, cooling of the soln. to room temp., a bright yellow ppt. is formed, solvent is decanted, ppt. is redissolved (hot toluene), slow cooling to -30°C, elem. anal.;A n/a
B 56%
C n/a
dimesitylfluoroborane
436-59-9

dimesitylfluoroborane

[(HC{C(Me)N-2,6-i-Pr2C6H3}2)Mg(Bpin)(C{N(i-Pr)C(Me)}2)]

[(HC{C(Me)N-2,6-i-Pr2C6H3}2)Mg(Bpin)(C{N(i-Pr)C(Me)}2)]

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

C24H34B2O2

C24H34B2O2

C

[HC{(Me)CN(2,6-iPr2C6H3)}2Mg{pinB}(DMAP)]

[HC{(Me)CN(2,6-iPr2C6H3)}2Mg{pinB}(DMAP)]

D

[{(HC{C(Me)N-2,6-i-Pr2C6H3}2)Mg}2(F)(O2BC{N(i-Pr)C(Me)}2)]

[{(HC{C(Me)N-2,6-i-Pr2C6H3}2)Mg}2(F)(O2BC{N(i-Pr)C(Me)}2)]

Conditions
ConditionsYield
In (2)H8-toluene at 20℃; for 1h; Schlenk technique; Inert atmosphere; Glovebox;A n/a
B n/a
C n/a
D 53%
2,3-dimethyl-buta-1,3-diene
513-81-5

2,3-dimethyl-buta-1,3-diene

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

2,3-dimethylbutane
79-29-8

2,3-dimethylbutane

C

2,3-Dimethyl-1-butene
563-78-0

2,3-Dimethyl-1-butene

Conditions
ConditionsYield
With hydrogen; palladium dichloride In N,N-dimethyl-formamide under 18751.5 Torr; for 0.25h; Product distribution; Ambient temperature; various time;A 39.3%
B 0.05%
C 52.2%
With hydrogen; 1,5-hexadienerhodium(I)-chloride dimer In various solvent(s) for 2h; Ambient temperature; pH=7.6;A 27%
B 25%
C 22%
With bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; hydrogen; disodium salt of the bis(m-sulfonatophenyl)-n-butylphosphane at 60℃; under 22502.3 Torr; for 6h; Ionic liquid; chemoselective reaction;
phenyl isopropyl sulfone
4238-09-9

phenyl isopropyl sulfone

methanesulfonyl chloride
124-63-0

methanesulfonyl chloride

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

Conditions
ConditionsYield
With n-butyllithium In tetrahydrofuran; acetone52%
3,6-Dihydro-4,5-dimethyl-2,2-diphenyl-2H-thiopyran
40754-58-3

3,6-Dihydro-4,5-dimethyl-2,2-diphenyl-2H-thiopyran

A

3,4-dimethylthiophene
632-15-5

3,4-dimethylthiophene

B

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

C

Diphenylmethane
101-81-5

Diphenylmethane

D

3,4-Dimethyl-2-(diphenylmethyl)thiophen
76390-41-5

3,4-Dimethyl-2-(diphenylmethyl)thiophen

Conditions
ConditionsYield
at 240 - 260℃; for 0.333333h; Product distribution;A 4 % Spectr.
B 8 % Spectr.
C 48%
D 50%
at 240 - 260℃; for 0.333333h;A 4 % Spectr.
B 8 % Spectr.
C 48%
D 50%

A

3,4-dimethylthiophene
632-15-5

3,4-dimethylthiophene

B

xanthene
92-83-1

xanthene

C

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

D

9H-xanthene-9-thione
492-21-7

9H-xanthene-9-thione

E

9,9'-bixanthene
4381-14-0

9,9'-bixanthene

F

2,3-dimethyl-buta-1,3-diene
513-81-5

2,3-dimethyl-buta-1,3-diene

Conditions
ConditionsYield
at 240 - 260℃; for 0.333333h; Product distribution;A 23 % Spectr.
B 25%
C 8 % Spectr.
D 50%
E 18%
F 26 % Spectr.

A

3,4-dimethylthiophene
632-15-5

3,4-dimethylthiophene

B

thioxanthene
261-31-4

thioxanthene

C

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

D

9,9’-bithioxanthene
10496-86-3

9,9’-bithioxanthene

E

3,4-Dimethyl-2-(9'-thioxanthenyl)thiophen
76390-47-1

3,4-Dimethyl-2-(9'-thioxanthenyl)thiophen

F

2,3-dimethyl-buta-1,3-diene
513-81-5

2,3-dimethyl-buta-1,3-diene

Conditions
ConditionsYield
at 240 - 260℃; for 0.333333h; Product distribution;A 35 % Spectr.
B 48%
C 7 % Spectr.
D 10%
E 11%
F 7 % Spectr.
tantalum(η5-Cp)(2,3-dimethylbutadiene){C5H6O(isopropyl)2}
115982-92-8

tantalum(η5-Cp)(2,3-dimethylbutadiene){C5H6O(isopropyl)2}

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

2-methyl-3-isopropyl-6-hepten-3-ol
38443-89-9

2-methyl-3-isopropyl-6-hepten-3-ol

C

2,3-Dimethyl-1-butene
563-78-0

2,3-Dimethyl-1-butene

Conditions
ConditionsYield
Hydrolysis of starting compd.; Gas chromy.;A 35%
B 48%
C 17%
dimesitylfluoroborane
436-59-9

dimesitylfluoroborane

[HC{(Me)CN(2,6-iPr2C6H3)}2Mg{pinB}(DMAP)]

[HC{(Me)CN(2,6-iPr2C6H3)}2Mg{pinB}(DMAP)]

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

C24H34B2O2

C24H34B2O2

C

{(HC{C(Me)N-2,6-i-Pr2C6H3}2)Mg}2(F)(O2BNC5H4-4-NMe2)

{(HC{C(Me)N-2,6-i-Pr2C6H3}2)Mg}2(F)(O2BNC5H4-4-NMe2)

D

C18H22BF*C7H10N2

C18H22BF*C7H10N2

Conditions
ConditionsYield
In (2)H8-toluene at 60℃; for 5h; Schlenk technique; Glovebox; Inert atmosphere;A n/a
B n/a
C 48%
D n/a
hexamethylsilirane
55644-09-2

hexamethylsilirane

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

Dimethyl-trichloromethyl-(1,1,2-trimethyl-propyl)-silane

Dimethyl-trichloromethyl-(1,1,2-trimethyl-propyl)-silane

C

Chloro-dimethyl-(1,1,2-trimethyl-allyl)-silane

Chloro-dimethyl-(1,1,2-trimethyl-allyl)-silane

D

Dimethyl-trichloromethyl-(1,1,2-trimethyl-allyl)-silane

Dimethyl-trichloromethyl-(1,1,2-trimethyl-allyl)-silane

Conditions
ConditionsYield
With tetrachloromethane In tetrahydrofuran for 1h; Ambient temperature;A n/a
B 19%
C 20%
D 41%
trichlorofluoromethane
75-69-4

trichlorofluoromethane

2,2-dimethoxy-propane
77-76-9

2,2-dimethoxy-propane

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

isopropyl alcohol
67-63-0

isopropyl alcohol

C

isobutyric Acid
79-31-2

isobutyric Acid

Conditions
ConditionsYield
With lithium aluminium tetrahydride; titanium(IV) iodide In tetrahydrofuran at -5℃; for 0.5h;A 18%
B 12%
C 38%
propene
187737-37-7

propene

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

2-methyl-2-pentene
625-27-4

2-methyl-2-pentene

C

trans-2-hexene
4050-45-7

trans-2-hexene

D

(E)-4-methylpent-2-ene
674-76-0

(E)-4-methylpent-2-ene

Conditions
ConditionsYield
(C3H5)2AlCl; Ni(C6H7O2)2; triphenylphosphine Further byproducts given. Title compound not separated from byproducts;A 2%
B 25%
C 16%
D 17.7%
cyclopentadienylirondicarbonyl hydride
35913-82-7

cyclopentadienylirondicarbonyl hydride

2,3-dimethyl-buta-1,3-diene
513-81-5

2,3-dimethyl-buta-1,3-diene

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

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

cyclopentadienyl iron(II) dicarbonyl dimer

C

η5-C5H5Fe(CO)2CH2CMe=CMe2

η5-C5H5Fe(CO)2CH2CMe=CMe2

D

2,3-Dimethyl-1-butene
563-78-0

2,3-Dimethyl-1-butene

Conditions
ConditionsYield
In pentane under N2, stirring at room temp, the react. was complete within about 1 h; evapn. (vac.), chromy. on alumina (eluent pentane for the hydrometalated products, and more polar solvents for the dimer), elem. anal., (the org. products identified by GC and NMR);A n/a
B 20%
C 8%
D n/a
2,2-dichloropropane
594-20-7

2,2-dichloropropane

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

2-chloropropene
557-98-2

2-chloropropene

C

isopropyl chloride
75-29-6

isopropyl chloride

Conditions
ConditionsYield
With iron pentacarbonyl at 140℃; for 3h; Product distribution; various reaction conditions;A 8%
B 5%
C 16%
d(4)-methanol
811-98-3

d(4)-methanol

3,3,5,5-tetramethyl-3,5-dihydro-4H-pyrazol-4-one
30467-62-0

3,3,5,5-tetramethyl-3,5-dihydro-4H-pyrazol-4-one

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

C8H12(2)H4O2

C8H12(2)H4O2

C

propan-2-one azine
627-70-3

propan-2-one azine

Conditions
ConditionsYield
at 5℃; for 6h; Irradiation;A 1%
B 11%
C 5%
2-(2,2-dimethylcyclopropyl)acetic acid
68258-20-8

2-(2,2-dimethylcyclopropyl)acetic acid

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

tert-butylethylene
558-37-2

tert-butylethylene

C

4-Methyl-1-pentene
691-37-2

4-Methyl-1-pentene

D

2,3-Dimethyl-1-butene
563-78-0

2,3-Dimethyl-1-butene

E

CO2

CO2

Conditions
ConditionsYield
at 496.9℃; for 0.25h; Product distribution; Thermodynamic data; Rate constant;A 11%
B n/a
C n/a
D n/a
E n/a
quinoline
91-22-5

quinoline

2-bromo-2,3-dimethylbutane
594-52-5

2-bromo-2,3-dimethylbutane

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

dimethylketene
598-26-5

dimethylketene

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

propene
187737-37-7

propene

Conditions
ConditionsYield
With silver at 600 - 700℃; beim Ueberleiten unter vermindertem Druck;
With silver at 600 - 700℃;
phthalic anhydride
85-44-9

phthalic anhydride

3,3-dimethyl-2-butanol
464-07-3, 20281-91-8

3,3-dimethyl-2-butanol

benzenesulfonic acid
98-11-3

benzenesulfonic acid

A

2,3-Dimethyl-2-butene
563-79-1

2,3-Dimethyl-2-butene

B

tert-butylethylene
558-37-2

tert-butylethylene

C

2,3-Dimethyl-1-butene
563-78-0

2,3-Dimethyl-1-butene

563-79-1Relevant articles and documents

Kinetics of the thermal isomerization of 1,1,2-trimethylcyclopropane

Lewis, David K.,Hughes, Steven V.,Miller, Justine D.,Schlier, Jessica,Wilkinson, Kevin A.,Wilkinson, Sara R.,Kalra, Bansi L.

, p. 475 - 482 (2006)

The Arrhenius parameters for the gas phase, unimolecular structural isomerizations of 1,1,2-trimethylcyclopropane to three isomeric methylpentenes and two dimethyl-butenes have been determined over a wide range of temperatures, 688-1124 K, using both static and shock tube reactors. For the overall loss of reactant. Ea =63.7 (±0.5) kcal/mol and log10 A= 15.28 (±0.12). These values are higher by 2.6 kcal/mol and 0.7-0.8 than previously reported from experimental work or predicted from thermochemical calculations. Ea for the formation of trans-4-methyl-2-pentene is 1.5 kcal/mol higher than Ea for the formation of the cis isomer, which is identical to the Ea difference previously reported for the formation of trans- and cis-2-butene from methylcyclopropane. Substitution of methyl groups for hydrogen atoms on the cyclopropane ring is expected to weaken the C - C ring bonds, and it has been reported previously that activation energies for structural isomerizations of methylcyclo-propanes do decrease substantially over the series cyclopropane > methylcyclopropane > 1, 1-or 1,2-dimethylcyclopropane. However, the present study shows that the trend does not continue beyond dimethylcyclopropane isomerization. Besides reductions in C - C bond energy, steric interactions may be increasingly important in determining the energy surface and conformational restrictions near the transition state in isomerizations of the more highly substituted methylcyclopropanes.

Rodgers,Wu

, p. 6913,6914, 6915, 6916 (1973)

Cyclopentadienyl(allyl) (butadiene)hafnium compounds. Synthesis, crystal structure, and dynamics of cyclopentadienyl(1,2,3-trimethylallyl)(1,2-dimethylbutadiene)-hafnium and cyclopentadienyl(1,1,2-trimethylallyl)-(2,3-dimethylbutadiene)hafnium

Prins, Thomas J.,Hauger, Bryan E.,Vance, Peter J.,Wemple, Michael E.,Kort, David A.,O'Brien, Jonathan P.,Silver, Michael E.,Huffman, John C.

, p. 979 - 985 (1991)

The reaction of CpHfCl3·2THF with 2 equiv of (1,2,3-Me3allyl)MgBr or (1,1,2-Me3allyl)MgBr yields Cp(1,2,3-Me3allyl)(1,2-Me2butadiene)Hf (3) or Cp(1,1,2-Me3allyl)(2,3-Me2butadiene)Hf (4). X-ray crystallography of 3 shows that both the allyl and butadiene ligands assume a prone orientation with respect to Cp. For 3: cell constants a = 15.109 (5), b = 7.150 (2), c = 15.587 (6) A?, β = 115.41 (1)°; space group P21/c; R = 0.0305, Rw = 0.0347. Variable-temperature 1H NMR studies indicate that compound 3 is static on the NMR time scale whereas 4 exists in two isomeric forms and undergoes three separate dynamic processes involving η3-η1 isomerization at the unsubstituted and substituted ends of the allyl ligand [ΔG? = 39.4 ± 1.0 kJ/mol and 73.4 ± 1.0 kJ/mol, respectively] and butadiene flip [ΔG?(avg) = 49.8 ± 1.0 kJ/mol].

Pulse Radiolysis and E.S.R. Evidence for the Formation of an Alkene Radical Cation in Aqueous Solution

Asmus, Klaus-Dieter,Williams, Peter S.,Gilbert, Bruce C.,Winter, Jeremy N.

, p. 208 - 210 (1987)

Direct pulse radiolysis evidence, complemented by e.s.r. experiments, establishes that the radical cation Me2C=-C.Me2 (λmax ca. 290 nm) is formed by acid-catalysed elimination of OH- from .CMe2CMe2OH; the radica

Turro et al.

, p. 955 (1964)

Radiolytic Generation of Organic Radical Cations in Zeolite Na-Y

Qin, X.-Z.,Trifunac, A. D.

, p. 4751 - 4754 (1990)

Several examples of radiolytically generated organic radical cations in zeolite Na-Y are illustrated.EPR studies of organic radical cations can be carried out in a wide range of temperatures up to room temperature.In every case, monomeric radical cations were observed.Comparison to previous work in freon and xenon matrices is made, illustrating that in the zeolite Na-Y there is considerably weaker radical cation-host interaction.A mechanism of radiolytic generation of radical cations in zeolite Na-Y is proposed.

Highly Active Superbulky Alkaline Earth Metal Amide Catalysts for Hydrogenation of Challenging Alkenes and Aromatic Rings

Eyselein, Jonathan,F?rber, Christian,Grams, Samuel,Harder, Sjoerd,Knüpfer, Christian,Langer, Jens,Martin, Johannes,Thum, Katharina,Wiesinger, Michael

supporting information, p. 9102 - 9112 (2020/03/30)

Two series of bulky alkaline earth (Ae) metal amide complexes have been prepared: Ae[N(TRIP)2]2 (1-Ae) and Ae[N(TRIP)(DIPP)]2 (2-Ae) (Ae=Mg, Ca, Sr, Ba; TRIP=SiiPr3, DIPP=2,6-diisopropylphenyl). While monomeric 1-Ca was already known, the new complexes have been structurally characterized. Monomers 1-Ae are highly linear while the monomers 2-Ae are slightly bent. The bulkier amide complexes 1-Ae are by far the most active catalysts in alkene hydrogenation with activities increasing from Mg to Ba. Catalyst 1-Ba can reduce internal alkenes like cyclohexene or 3-hexene and highly challenging substrates like 1-Me-cyclohexene or tetraphenylethylene. It is also active in arene hydrogenation reducing anthracene and naphthalene (even when substituted with an alkyl) as well as biphenyl. Benzene could be reduced to cyclohexane but full conversion was not reached. The first step in catalytic hydrogenation is formation of an (amide)AeH species, which can form larger aggregates. Increasing the bulk of the amide ligand decreases aggregate size but it is unclear what the true catalyst(s) is (are). DFT calculations suggest that amide bulk also has a noticeable influence on the thermodynamics for formation of the (amide)AeH species. Complex 1-Ba is currently the most powerful Ae metal hydrogenation catalyst. Due to tremendously increased activities in comparison to those of previously reported catalysts, the substrate scope in hydrogenation catalysis could be extended to challenging multi-substituted unactivated alkenes and even to arenes among which benzene.

A smarter approach to catalysts by design: Combining surface organometallic chemistry on oxide and metal gives selective catalysts for dehydrogenation of 2,3-dimethylbutane

Rouge, Pascal,Garron, Anthony,Norsic, Sébastien,Larabi, Cherif,Merle, Nicolas,Delevoye, Laurent,Gauvin, Regis M.,Szeto, Kai C.,Taoufik, Mostafa

, p. 21 - 26 (2019/04/25)

2,3-dimethylbutane is selectively converted into 2,3-dimethylbutenes at 500 °C under hydrogen or at 390 °C under nitrogen in the presence of bimetallic catalysts Pt-Sn/Li-Al2O3. The high stability of the catalyst along the reaction is obtained by selective modification of the Pt/Li-Al2O3 catalyst using Surface Organometallic Chemistry (SOMC).

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