Ethyl 2-amino-4-chlorobenzoate

Base Information

• Chemical Name: Ethyl 2-amino-4-chlorobenzoate
• CAS No.: 60064-34-8
• Molecular Formula: C9H10ClNO2
• Molecular Weight: 199.637
• Hs Code.: 2922498590
• DSSTox Substance ID: DTXSID90489825
• Nikkaji Number: J90.086I
• Wikidata: Q82333310
• Mol file: 60064-34-8.mol

Synonyms:ETHYL 2-AMINO-4-CHLOROBENZOATE;60064-34-8;2-Amino-4-chlorobenzoic acid ethyl ester;ethyl-4-chloroanthranilate;SCHEMBL1189663;DTXSID90489825;GRKFYIXWMUULEX-UHFFFAOYSA-N;MFCD09878359;ETHYL2-AMINO-4-CHLOROBENZOATE;AKOS000297808;BS-28972;CS-0211583;FT-0757823;EN300-138336;F78452;A869057

Chemical Property of Ethyl 2-amino-4-chlorobenzoate

Chemical Property:

• PSA: 52.32000
• LogP: 2.68010
• Storage Temp.: 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.0400063
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-amino-4-chlorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=C(C=C1)Cl)N

Technology Process of Ethyl 2-amino-4-chlorobenzoate

There total 2 articles about Ethyl 2-amino-4-chlorobenzoate 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: 64.0%

ethanol (64-17-5) + 2-Amino-4-chlorobenzoic acid (89-77-0) → 2-Carboethoxy-5-chloroaniline (60064-34-8)

Guidance literature:

ethanol; 2-Amino-4-chlorobenzoic acid; sulfuric acid; for 72h; Reflux;

With sodium hydrogencarbonate; In ethanol; water;

Reference yield:

→ 2-Carboethoxy-5-chloroaniline (60064-34-8)

Guidance literature:

/BRN= 1072895/;

Reference yield: 99.0%

phosgene (75-44-5) + 2-Carboethoxy-5-chloroaniline (60064-34-8) → 2-(ethoxycarbonyl)-5-chlorophenyl isocyanate (139422-18-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; toluene; at -5 - 20 ℃;

DOI:10.1021/jm00074a020

upstream raw materials:

ethanol

2-Amino-4-chlorobenzoic acid

Downstream raw materials:

4-hydroxy-7-chloro-2-phenylquinoline

2-(ethoxycarbonyl)-5-chlorophenyl isocyanate

ethyl 2-(cyanoacetamido)-4-chlorobenzoate

ethyl N-[5-chloro-2-(ethoxycarbonyl)phenyl]glycinate