2-Butenenitrile, 2-methyl-

Base Information

• Chemical Name: 2-Butenenitrile, 2-methyl-
• CAS No.: 4403-61-6
• Molecular Formula: C5H7 N
• Molecular Weight: 81.1173
• Hs Code.: 2926909090
• European Community (EC) Number: 224-544-5
• UN Number: 3273
• DSSTox Substance ID: DTXSID0025577
• Wikidata: Q24764474
• Mol file: 4403-61-6.mol

Synonyms:2-methyl-2-butenenitrile

Chemical Property of 2-Butenenitrile, 2-methyl-

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 13.2mmHg at 25°C
• Melting Point: - 12 C
• Refractive Index: n20/D 1.417
• Boiling Point: 122 C
• Flash Point: -17 °C
• PSA: 23.79000
• Density: 0.810 g/mL at 20 °C(lit.)
• LogP: 1.47618
• Water Solubility.: Slightly soluble in water
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 81.057849228
• Heavy Atom Count: 6
• Complexity: 102
• Transport DOT Label: Flammable Liquid Poison

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methyl-2-butenenitrile >70.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 3, 6.1 (Packing Group: II) UN NO.
• Hazard Codes: F,Xn
• Statements: 11-20/22
• Safety Statements: 16-23-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC=C(C)C#N

Technology Process of 2-Butenenitrile, 2-methyl-

There total 9 articles about 2-Butenenitrile, 2-methyl- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

2-METHYL-3-BUTENENITRILE (16529-56-9) → 2-methyl-2-butene nitrile (4403-61-6)

Guidance literature:

With aluminum oxide; at 85 ℃; for 18h;

DOI:10.1016/j.tet.2003.10.120

Reference yield: 67.0%

dimethylacetylene (503-17-3) + 2-vinylbenzonitrile (34560-28-6) → 2-methyl-2-butene nitrile (4403-61-6) + 2,3-dimethyl-1-methylene-1H-indene

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; dimethylaluminum chloride; triphenylphosphine; In hexane; toluene; at 60 ℃; for 16h; Inert atmosphere; Glovebox;

DOI:10.1002/chem.201604061

Reference yield: 28.0%

3-Ethylsulfanyl-2-methyl-butyronitrile (108671-31-4) → 2-methyl-2-butene nitrile (4403-61-6)

Guidance literature:

With tetrabutylammomium bromide; In methanol; electrolysis;

DOI:10.1016/S0040-4039(00)84941-2

upstream raw materials:

2-hydroxy-2-methyl-butyronitrile

(Z)-2-Butene

ethanedinitrile

3-Ethylsulfanyl-2-methyl-butyronitrile

Downstream raw materials:

2-Methylbutylamine

Tiglic acid

(Z)-2-methyl-2-butenenitrile

4-Pentenenitrile

Refernces

• 1、 Fang, Xianjie,Yu, Peng,Prina Cerai, Gabriele,Morandi, Bill. "Unlocking Mizoroki–Heck-Type Reactions of Aryl Cyanides Using Transfer Hydrocyanation as a Turnover-Enabling Step". supporting information. p. 15629 - 15633. Retrieved 2016/10/24.
• 2、 -. "METHOD FOR PRODUCING LINEAR PENTENENITRILE". Page/Page column 92-94. . Retrieved 2008/06/13.