2-Ethylsuccinonitrile

Base Information

• Chemical Name: 2-Ethylsuccinonitrile
• CAS No.: 17611-82-4
• Molecular Formula: C6H8 N2
• Molecular Weight: 108.143
• Hs Code.: 2926909090
• European Community (EC) Number: 241-587-5
• UNII: QYK7RXB2XD
• DSSTox Substance ID: DTXSID8027791
• Nikkaji Number: J287.088F
• Wikidata: Q27287567
• Mol file: 17611-82-4.mol

Synonyms:2-ethylsuccinonitrile;Ethylsuccinonitrile;2-ethylbutanedinitrile;17611-82-4;Butanedinitrile, ethyl-;Butanedinitrile, 2-ethyl-;Succinonitrile, ethyl-;QYK7RXB2XD;UNII-QYK7RXB2XD;EINECS 241-587-5;ethylsuccinnitril;2-ETHYLSUCCINDINITRILE;SCHEMBL214487;DTXSID8027791;Q27287567

Chemical Property of 2-Ethylsuccinonitrile

Chemical Property:

• Vapor Pressure: 0.0099mmHg at 25°C
• Melting Point: -40.9°C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 264.1°Cat760mmHg
• Flash Point: 126.4°C
• PSA: 47.58000
• Density: 0.942g/cm³
• LogP: 1.44986
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 108.068748264
• Heavy Atom Count: 8
• Complexity: 142

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC#N)C#N

Technology Process of 2-Ethylsuccinonitrile

There total 11 articles about 2-Ethylsuccinonitrile 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: 89.0%

hydrogen cyanide (74-90-8) + cis-2-pentenenitrile (25899-50-7) → alpha-ethylsuccinonitrile (17611-82-4)

Guidance literature:

With alumina; at 100 ℃; for 4h; under 760 Torr; Reagent/catalyst; Temperature; Inert atmosphere;

Reference yield: 31.0%

hydrogen cyanide (74-90-8) + 3-pentenenitrile (4635-87-4) → alpha-ethylsuccinonitrile (17611-82-4)

Guidance literature:

With alumina; at 100 ℃; for 4h; under 760 Torr; Reagent/catalyst; Inert atmosphere;

Reference yield:

cis-2-pentenenitrile (25899-50-7) → hexanedinitrile (111-69-3) + 2-methylglutaronitrile (4553-62-2) + alpha-ethylsuccinonitrile (17611-82-4)

Guidance literature:

cis-2-pentenenitrile; With zinc(II) chloride; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In toluene; at 50 ℃; for 16h;

With hydrogen cyanide; In toluene; at 20 ℃; under 618.812 Torr; Product distribution / selectivity;

upstream raw materials:

hydrogen cyanide

4-Pentenenitrile

3-Pentenenitrile

2-hydroxy-2-methylpropanenitrile

Downstream raw materials:

4-ethyl-1-methylpyrrolidin-2-one

4-ethylpyrrolidin-2-one

Refernces

• 1、 -. "METHOD FOR PRODUCING NITRILE COMPOUNDS FROM ETHYLENICALLY UNSATURATED COMPOUNDS". Paragraph 0081-0088. . Retrieved 2014/09/16.
• 2、 -. "ORGANOPHOSPHORUS COMPOUNDS, CATALYTIC SYSTEMS COMPRISING SAID COMPOUNDS AND METHOD OF HYDROCYANATION USING SAID CATALYTIC SYSTEMS". Paragraph 0104-0110. . Retrieved 2013/03/26.