(2E)-3-Cyano-2-butenoic acid ethyl ester

Base Information

• Chemical Name: (2E)-3-Cyano-2-butenoic acid ethyl ester
• CAS No.: 6330-35-4
• Molecular Formula: C7H9NO2
• Molecular Weight: 139.154
• NSC Number: 47017
• Nikkaji Number: J3.157.261D
• Mol file: 6330-35-4.mol

Synonyms:NSC47017;NSC-47017;6330-35-4;(2E)-3-Cyano-2-butenoic acid ethyl ester

Chemical Property of (2E)-3-Cyano-2-butenoic acid ethyl ester

Chemical Property:

• Vapor Pressure: 0.111mmHg at 25°C
• Boiling Point: 220.8°C at 760 mmHg
• Flash Point: 93.8°C
• Density: 1.035g/cm³
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 139.063328530
• Heavy Atom Count: 10
• Complexity: 197

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C=C(C)C#N
• Isomeric SMILES: CCOC(=O)/C=C(\C)/C#N

Technology Process of (2E)-3-Cyano-2-butenoic acid ethyl ester

There total 1 articles about (2E)-3-Cyano-2-butenoic acid ethyl ester 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:

thionyl chloride (7719-09-7) + ethyl 3-cyano-3-hydroxybutanoate (6330-37-6) → (Z)-ethyl 3-cyanobut-2-enoate (40595-04-8) + (E)-ethyl 3-cyanobut-2-enoate (6330-35-4)

Guidance literature:

at 110 ℃;

Reference yield:

(E)-ethyl 3-cyanobut-2-enoate (6330-35-4) → Mesaconic acid (498-24-8,7407-59-2)

Guidance literature:

upstream raw materials:

thionyl chloride

ethyl 3-cyano-3-hydroxybutanoate

Downstream raw materials:

Mesaconic acid