Cyanodichlorophenylacrylic acid

Base Information

• Chemical Name: Cyanodichlorophenylacrylic acid
• CAS No.: 6013-05-4
• Molecular Formula: C₁₀H₅Cl₂NO₂
• Molecular Weight: 242.061
• DSSTox Substance ID: DTXSID301032079
• Nikkaji Number: J22.062K
• Mol file: 6013-05-4.mol

Synonyms:Cyanodichlorophenylacrylic acid;Ethyl-214;6013-05-4;alpha-Cyano-2,4-dichlorocinnamic acid;BRN 3136033;2-cyano-3-(2,4-dichlorophenyl)acrylic acid;CINNAMIC ACID, 2,4-DICHLORO-alpha-CYANO-;2-Cyano-3-(2,4-dichlorophenyl)-2-propenoic acid;alpha-Cyano-beta-(2,4-dichloro-phenyl)acrylic acid;2-Propenoic acid, 2-cyano-3-(2,4-dichlorophenyl)-;Kyselina alpha-kyan-beta-(2,4-dichlorfenyl)akrylova [Czech];(E)-2-cyano-3-(2,4-dichlorophenyl)prop-2-enoic acid;DTXSID301032079;CCG-43643;AKOS000136977;2,4-Dichloro-alpha-cyano-cinnamic acid;LS-54077;4-09-00-03462 (Beilstein Handbook Reference);Kyselina alpha-kyan-beta-(2,4-dichlorfenyl)akrylova;SR-01000633546-1;2-CYANO-3-(2,4-DICHLORO-PHENYL)-ACRYLIC ACID

Chemical Property of Cyanodichlorophenylacrylic acid

Chemical Property:

• Vapor Pressure: 2.06E-07mmHg at 25°C
• Boiling Point: 408.7°Cat760mmHg
• Flash Point: 201°C
• Density: 1.525g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 240.9697338
• Heavy Atom Count: 15
• Complexity: 332

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C=C(C#N)C(=O)O
• Isomeric SMILES: C1=CC(=C(C=C1Cl)Cl)/C=C(\C#N)/C(=O)O

Technology Process of Cyanodichlorophenylacrylic acid

There total 1 articles about Cyanodichlorophenylacrylic acid 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:

2,4-dichlorobenzaldeyhde (874-42-0) + cyanoacetic acid (372-09-8) → 2-cyano-3t-(2,4-dichloro-phenyl)-acrylic acid (6013-05-4)

Guidance literature:

With sodium hydroxide;

Reference yield: 62.0%

6-Amino-1,3-dimethylbarbituric acid (6642-31-5) + C10H5Cl2NO2 (6013-05-4) → 5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile (1242681-89-5)

Guidance literature:

With piperidine; In ethanol; for 6h; Reflux;

DOI:10.1007/s10593-010-0507-0

Reference yield:

2-cyano-3t-(2,4-dichloro-phenyl)-acrylic acid (6013-05-4) → ethyl (E)-2-cyano-3-(2,4-dichlorophenyl)-2-propenoate (7324-89-2,24393-45-1)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

2,4-dichlorobenzaldeyhde

cyanoacetic acid

Downstream raw materials:

ethyl (E)-2-cyano-3-(2,4-dichlorophenyl)-2-propenoate

5-(2,4-dichlorophenyl)-1,3-dimethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile