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4403-61-6

Basic Information
CAS No.: 4403-61-6
Name: 2-METHYL-2-BUTENENITRILE
Article Data: 12
Molecular Structure:
Molecular Structure of 4403-61-6 (2-METHYL-2-BUTENENITRILE)
Formula: C5H7 N
Molecular Weight: 81.1173
Synonyms: Crotononitrile,2-methyl- (8CI); 2-Cyano-2-butene; 2-Methyl-2-butenenitrile;2-Methyl-2-butennitrile; 2-Methylcrotononitrile; NSC 44233; a,b-Dimethylacrylonitrile; a-Methylcrotononitrile
EINECS: 224-544-5, 243-496-6, 25
Density: 0.810 g/mL at 20 °C(lit.)
Melting Point: - 12 C
Boiling Point: 122 C
Flash Point: -17 °C
Solubility: <0.1 g/100ml clear liquid
Hazard Symbols: 3, 6.1 (Packing Group: II) UN NO.
Risk Codes: 11-20/22
Transport Information: 160kgs
PSA: 23.79000
LogP: 1.47618
Synthetic route
16529-56-9

2-METHYL-3-BUTENENITRILE

4403-61-6

2-methyl-2-butene nitrile

Conditions
ConditionsYield
With aluminum oxide at 85℃; for 18h;98%
recovered isomerization catalyst at 120℃; for 5h; Conversion of starting material;
503-17-3

dimethylacetylene

34560-28-6

2-vinylbenzonitrile

A

4403-61-6

2-methyl-2-butene nitrile

B

2,3-dimethyl-1-methylene-1H-indene

Conditions
ConditionsYield
With bis(1,5-cyclooctadiene)nickel (0); dimethylaluminum chloride; triphenylphosphine In hexane; toluene at 60℃; for 16h; Inert atmosphere; Glovebox;A n/a
B 67%
108671-31-4

3-Ethylsulfanyl-2-methyl-butyronitrile

4403-61-6

2-methyl-2-butene nitrile

Conditions
ConditionsYield
With tetrabutylammomium bromide In methanol electrolysis;28%
4111-08-4

2-hydroxy-2-methyl-butyronitrile

4403-61-6

2-methyl-2-butene nitrile

Conditions
ConditionsYield
With phosphorus pentaoxide α.β-dimethyl-acrylic acid nitrile;
With phosphorus pentachloride α.β-dimethyl-acrylic acid nitrile;
590-18-1

(Z)-2-Butene

460-19-5

ethanedinitrile

A

1190-76-7

(Z)-2-butenenitrile

B

4786-20-3

crotononitrile

C

4403-61-6

2-methyl-2-butene nitrile

D

74-84-0

ethane

E

109-75-1

but-3-enenitrile

F

126-98-7

methacrylonitrile

Conditions
ConditionsYield
Product distribution; Mechanism; Irradiation; power, flow rates dependence;
Reaxys ID: 11463818

Reaxys ID: 11463818

A

4403-61-6

2-methyl-2-butene nitrile

B

592-51-8

4-Pentenenitrile

C

4635-87-4

3-pentenenitrile

Conditions
ConditionsYield
bis(cyclooctadiene-1,5)nikel; trifuran-2-yl-phosphane at 100℃; for 1h; Product distribution / selectivity;
bis(cyclooctadiene-1,5)nikel; diphenyl(2-furyl)phosphane at 100℃; for 1h; Product distribution / selectivity;
bis(cyclooctadiene-1,5)nikel; 2,2'-(phenylphosphiniden)bisfuran at 100℃; for 1h; Product distribution / selectivity;
16529-56-9

2-METHYL-3-BUTENENITRILE

A

4403-61-6

2-methyl-2-butene nitrile

B

4635-87-4

3-pentenenitrile

Conditions
ConditionsYield
With bis(1,5-cyclooctadiene)nickel (0); 1,4-di(diphenylphosphino)-butane In toluene at 100℃; Catalytic behavior; Reagent/catalyst; Schlenk technique; Inert atmosphere;
74-90-8

hydrogen cyanide

106-99-0

buta-1,3-diene

4403-61-6

2-methyl-2-butene nitrile

Conditions
ConditionsYield
Stage #1: hydrogen cyanide; buta-1,3-diene
Stage #2: With calcium hydroxide at 140℃; under 750.075 Torr; for 8h; Reagent/catalyst; Temperature;
methyl aminal ester

methyl aminal ester

4403-61-6

2-methyl-2-butene nitrile

18368-64-4

2-chloro-5-methylpyridine

Conditions
ConditionsYield
In water; acetic acid; toluene98.6%
4403-61-6

2-methyl-2-butene nitrile

93-97-0

benzoic acid anhydride

80589-05-5

2-benzoyl-2-methylbutanenitrile

Conditions
ConditionsYield
With HRu(1,3-bis(6'-methyl-2'-pyridylimino)isoindoline)(PPh3)2; hydrogen; 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 100℃; under 5931.67 Torr; for 15h; Sealed tube;81%
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