Ethyl 2-chloro-3-(2-chloro-5-nitrophenyl)prop-2-enoate

Base Information

• Chemical Name: Ethyl 2-chloro-3-(2-chloro-5-nitrophenyl)prop-2-enoate
• CAS No.: 142891-22-3
• Molecular Formula: C₁₁H₉Cl₂NO₄
• Molecular Weight: 290.103
• European Community (EC) Number: 604-319-1
• DSSTox Substance ID: DTXSID20706592
• Mol file: 142891-22-3.mol

Synonyms:142891-22-3;Ethyl 2-chloro-3-(2-chloro-5-nitrophenyl)prop-2-enoate;DTXSID20706592

Chemical Property of Ethyl 2-chloro-3-(2-chloro-5-nitrophenyl)prop-2-enoate

Chemical Property:

• Vapor Pressure: 1.06E-06mmHg at 25°C
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 288.9908632
• Heavy Atom Count: 18
• Complexity: 353

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)Cl

Technology Process of Ethyl 2-chloro-3-(2-chloro-5-nitrophenyl)prop-2-enoate

There total 12 articles about Ethyl 2-chloro-3-(2-chloro-5-nitrophenyl)prop-2-enoate 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: 88.0%

→ ethyl 2,α-dichloro-5-nitrocinnamate (142891-22-3)

Guidance literature:

Reference yield: 76.0%

3-Chlor-2-hydroxy-3-(2-chlor-5-nitrophenyl)-propionsaeureethylester (155197-66-3) → ethyl 2,α-dichloro-5-nitrocinnamate (142891-22-3)

Guidance literature:

With N,N-dimethyl-formamide; at 80 ℃; for 2h;

DOI:10.1016/S0040-4020(01)86960-X

Reference yield: 73.5%

3-(2-Chlor-5-nitrophenyl)-glycidsaeureethylester → (E)-2-Chloro-3-(2-chloro-5-nitro-phenyl)-acrylic acid ethyl ester (142891-22-3) + ethyl 2,α-dichloro-5-nitrocinnamate (142891-22-3)

Guidance literature:

With N,N-dimethyl-formamide; at 110 ℃; for 5h; Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1016/S0040-4020(01)86960-X

upstream raw materials:

2-chloro-5-nitrobenzaldehyde

3-Chlor-2-hydroxy-3-(2-chlor-5-nitrophenyl)-propionsaeureethylester

ethyl 3-(2-chloro-5-nitrophenyl)glycidate

acetyl chloride