Benzoic acid, 4-[(ethoxycarbonyl)amino]-, methyl ester

Base Information

Chemical Name:Benzoic acid, 4-[(ethoxycarbonyl)amino]-, methyl ester
CAS No.:5255-72-1
Molecular Formula:C₁₁H₁₃NO₄
Molecular Weight:223.229
Hs Code.:
DSSTox Substance ID:DTXSID501276548

Synonyms:methyl 4-[(ethoxycarbonyl)amino]benzoate;Benzoic acid, 4-[(ethoxycarbonyl)amino]-, methyl ester;5255-72-1;SCHEMBL5636399;DTXSID501276548;HMS1672J21;STL478601;AKOS000536709;NCGC00336656-01;AB01330179-02;SR-01000357002;SR-01000357002-1;Z31719089

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Benzoic acid, 4-[(ethoxycarbonyl)amino]-, methyl ester

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:223.08445790
Heavy Atom Count:16
Complexity:246

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)NC1=CC=C(C=C1)C(=O)OC

Technology Process of Benzoic acid, 4-[(ethoxycarbonyl)amino]-, methyl ester

There total 4 articles about Benzoic acid, 4-[(ethoxycarbonyl)amino]-, methyl 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: 73.0%

: 124-38-9,18923-20-1
carbon dioxide

: 75-03-6
ethyl iodide

: 619-45-4
4-methoxycarbonyl aniline

: 5255-72-1
4-ethoxycarbonylamino-benzoic acid methyl ester

Guidance literature:: With caesium carbonate; In dimethyl sulfoxide; chemoselective reaction;
DOI:10.1002/cssc.201600521

Reference yield:

: 5180-75-6
4-[(ethoxycarbonyl)amino]benzoic acid

: 5255-72-1
4-ethoxycarbonylamino-benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: acetyl chloride; phosphorus pentachloride

With phosphorus pentachloride; acetyl chloride;

Reference yield:

: 150-13-0,159246-81-8,8014-65-1
4-amino-benzoic acid

: 5255-72-1
4-ethoxycarbonylamino-benzoic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: diluted NaOH-solution

2: acetyl chloride; phosphorus pentachloride

With sodium hydroxide; phosphorus pentachloride; acetyl chloride;