Methyl 2-cyanobuta-2,3-dienoate

Base Information

• Chemical Name: Methyl 2-cyanobuta-2,3-dienoate
• CAS No.: 93102-12-6
• Molecular Formula: C6H5NO2
• Molecular Weight: 123.111
• DSSTox Substance ID: DTXSID10526221
• Mol file: 93102-12-6.mol

Synonyms:Methyl 2-cyanobuta-2,3-dienoate;93102-12-6;DTXSID10526221

Chemical Property of Methyl 2-cyanobuta-2,3-dienoate

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 123.032028402
• Heavy Atom Count: 9
• Complexity: 215

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(=C=C)C#N

Technology Process of Methyl 2-cyanobuta-2,3-dienoate

There total 1 articles about Methyl 2-cyanobuta-2,3-dienoate 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:

C20H15NO2 (93102-17-1) → anthracene (120-12-7) + cyano-1 methoxycarbonyl-1 propadiene (93102-12-6)

Guidance literature:

at 680 ℃; under 1E-05 Torr; Yield given; flash thermolysis;

DOI:10.1016/S0040-4039(01)91047-0

Reference yield:

benzylidene phenylamine (538-51-2) + cyano-1 methoxycarbonyl-1 propadiene (93102-12-6) → Cyano-[1,4-diphenyl-azetidin-(2E)-ylidene]-acetic acid methyl ester (98714-56-8)

Guidance literature:

With triethylamine; In benzene; for 1h; Yield given; Heating;

DOI:10.1016/S0040-4020(01)96559-7

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + cyano-1 methoxycarbonyl-1 propadiene (93102-12-6) → cyanocyclopentylideneacetic acid methyl ester (66977-04-6) + cyclobutylidenecyanaacetate d'methyle (98714-66-0)

Guidance literature:

With triethylamine; In diethyl ether; at -20 ℃; for 1.5h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4020(01)96559-7

upstream raw materials:

C₂₀H₁₅NO₂

Downstream raw materials:

cyanocyclopentylideneacetic acid methyl ester

cyclobutylidenecyanaacetate d'methyle

(E)-2-Cyano-3-(4-oxo-pentylamino)-but-2-enoic acid methyl ester

Cyano-[1,4-diphenyl-azetidin-(2E)-ylidene]-acetic acid methyl ester