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563-45-1

Basic Information
CAS No.: 563-45-1
Name: 3-Methyl-1-butene
Article Data: 233
Molecular Structure:
Molecular Structure of 563-45-1 (3-Methyl-1-butene)
Formula: C5H10
Molecular Weight: 70.1344
Synonyms: 2-Methyl-3-butene;3,3-Dimethylpropene;3-Methyl-1-butene;Isopropylethene;Isopropylethylene;a-Isoamylene;
EINECS: 209-249-1
Density: 0.658 g/cm3
Melting Point: -168 °C
Boiling Point: 20.059 °C at 760 mmHg
Flash Point: -56.667 °C
Solubility: Insoluble in water
Appearance: A colorless volatile liquid with a disagreeable odor
Hazard Symbols: HighlyF+,HarmfulXn
Risk Codes: 12-36/37/38-65
Safety: 16-26-62
Transport Information: UN 2561 3/PG 1
PSA: 0.00000
LogP: 1.82840
Synthetic route
60171-30-4

(E)-trimethyl-(β-methylcrotyl)silane

563-45-1

3-Methyl-1-butene

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

ethene

A

102307-86-8

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

B

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%
123-51-3

i-Amyl alcohol

A

513-35-9

2-methyl-but-2-ene

B

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.
96-17-3, 57456-98-1

2-Methylbutyraldehyde

78-79-5

isoprene

A

563-80-4

3-methyl-butan-2-one

B

513-35-9

2-methyl-but-2-ene

C

563-45-1

3-Methyl-1-butene

D

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
60171-30-4

(E)-trimethyl-(β-methylcrotyl)silane

A

513-35-9

2-methyl-but-2-ene

B

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%
190260-50-5

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

A

563-45-1

3-Methyl-1-butene

B

100-47-0

benzonitrile

Conditions
ConditionsYield
at 600℃; under 0.001 Torr;A 68%
B 83%

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

A

463-82-1

2,2-dimethylpropane

B

74-85-1

ethene

C

1630-94-0

1,1-dimethylcyclopropane

D

563-45-1

3-Methyl-1-butene

E

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%
95903-96-1

triethylbenzylammonium ethanolate

107-82-4

i-pentyl bromide

A

628-04-6

1-ethoxy-3-methyl-butane

B

563-45-1

3-Methyl-1-butene

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

Dimethylallene

A

513-35-9

2-methyl-but-2-ene

B

78-78-4

methylbutane

C

563-46-2

2-Methyl-1-butene

D

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%
55068-34-3

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

563-45-1

3-Methyl-1-butene

Conditions
ConditionsYield
With n-butyllithium; naphthalen-1-yl-lithium at -100℃;54%
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    Name: 3-Methyl-1-butene Other Names: Methylbutene; 3-Methylbutene; 3-methylbut-1-ene; isopentene; Isoamylene; 3-Methylbutene-1 CAS: 563-45-1 MF: C5H10 Appearance: Colorless Transparent Liquid Storage: Preserve in well-closed, light-resist

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Reported in EPA TSCA Inventory.

Specification

The 3-Methyl-1-butene, with the CAS registry number 563-45-1, is also known as 3-Methylbut-1-ene. It belongs to the product categories of Gas Cylinders; Hydrocarbons (Low Boiling point); Synthetic Organic Chemistry; Alpha Sort; Hydrocarbons; NeatsGasoline, Diesel, Petroleum; Olefins; Substance classes; Volatiles/ Semivolatiles; Chemical Synthesis; Compressed and Liquefied Gases; Synthetic Reagents; Acyclic; Alkenes; Organic Building Blocks. Its EINECS number is 209-249-1. This chemical's molecular formula is C5H10 and molecular weight is 70.13. What's more, its systematic name is 3-Methyl-1-butene. This chemical is used to make other chemicals.

Physical properties of 3-Methyl-1-butene are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.26; (6)ACD/BCF (pH 7.4): 65.26; (7)ACD/KOC (pH 5.5): 692.69; (8)ACD/KOC (pH 7.4): 692.69; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.384; (13)Molar Refractivity: 24.897 cm3; (14)Molar Volume: 106.54 cm3; (15)Polarizability: 9.87×10-24cm3; (16)Surface Tension: 17.4 dyne/cm; (17)Density: 0.658 g/cm3; (18)Flash Point: -56.667 °C; (19)Enthalpy of Vaporization: 25.581 kJ/mol; (20)Boiling Point: 20.059 °C at 760 mmHg; (21)Vapour Pressure: 905.327026367188 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-Methyl-4-trimethylsilylbut-2-ene by heating. This reaction will need reagent THF with the reaction time of 3 hours. The yield is about 100%.

3-Methyl-1-butene can be prepared by 3-Methyl-4-trimethylsilylbut-2-ene by heating

Uses of 3-Methyl-1-butene: it can be used to produce 1,2-dibromo-3-methyl-butane at the temperature of -65 °C. It will need reagent Br2 and solvent CHCl3. The yield is about 95%.

3-Methyl-1-butene can be used to produce 1,2-dibromo-3-methyl-butane at the temperature of -65 °C

When you are using this chemical, please be cautious about it as the following:
This chemical is extremely flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. It is harmful as it may cause lung damage if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. If swallowed, it will not induce vomiting, and you should seek medical advice immediately and show this container or label.

You can still convert the following datas into molecular structure:
(1)SMILES: C=C\C(C)C
(2)Std. InChI: InChI=1S/C5H10/c1-4-5(2)3/h4-5H,1H2,2-3H3
(3)Std. InChIKey: YHQXBTXEYZIYOV-UHFFFAOYSA-N