2-[(2-Carboxyphenyl)amino]-3-cyanobenzoic acid

Base Information

Chemical Name:2-[(2-Carboxyphenyl)amino]-3-cyanobenzoic acid
CAS No.:106589-23-5
Molecular Formula:C₁₅H₁₀N₂O₄
Molecular Weight:282.255
Hs Code.:
DSSTox Substance ID:DTXSID001247255

Synonyms:2-[(2-Carboxyphenyl)amino]-3-cyanobenzoic acid;DTXSID001247255;106589-23-5

Suppliers and Price of 2-[(2-Carboxyphenyl)amino]-3-cyanobenzoic acid

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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 2-[(2-Carboxyphenyl)amino]-3-cyanobenzoic acid

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:282.06405680
Heavy Atom Count:21
Complexity:456

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)O)NC2=C(C=CC=C2C(=O)O)C#N

Technology Process of 2-[(2-Carboxyphenyl)amino]-3-cyanobenzoic acid

There total 7 articles about 2-[(2-Carboxyphenyl)amino]-3-cyanobenzoic 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: 71.0%

: 118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4
anthranilic acid

: 106589-22-4
3-cyano-2-iodobenzoic acid

: 106589-23-5
2-<(2-carboxyphenyl)amino>-3-cyanobenzoic acid

Guidance literature:: With N-ethylmorpholine;; copper(l) chloride; In various solvent(s); at 120 ℃; for 2h;
DOI:10.1021/jm00387a013

Reference yield:

: 2902-65-0
2-iodoyl-1,3-benzenedicarboxylic acid

: 106589-23-5
2-<(2-carboxyphenyl)amino>-3-cyanobenzoic acid

Guidance literature:: Multi-step reaction with 7 steps

1: 1.) SOCl₂

2: aq. NaOH / methanol / 1 h / Heating

3: SOCl₂ / 1 h / Heating

4: NH₄OH / CH₂Cl₂

5: 59 percent / POCl₃ / 1 h / 100 °C

6: 100 percent / aq. NaOH / methanol / Heating

7: 71 percent / CuCl, N-ethylmorpholine / various solvent(s) / 2 h / 120 °C

With N-ethylmorpholine;; ammonium hydroxide; sodium hydroxide; thionyl chloride; copper(l) chloride; trichlorophosphate; In methanol; dichloromethane;
DOI:10.1021/jm00387a013

Reference yield:

: 106589-18-8
Dimethyl 2-iodoisophthalate

: 106589-23-5
2-<(2-carboxyphenyl)amino>-3-cyanobenzoic acid

Guidance literature:: Multi-step reaction with 6 steps

1: aq. NaOH / methanol / 1 h / Heating

2: SOCl₂ / 1 h / Heating

3: NH₄OH / CH₂Cl₂

4: 59 percent / POCl₃ / 1 h / 100 °C

5: 100 percent / aq. NaOH / methanol / Heating

6: 71 percent / CuCl, N-ethylmorpholine / various solvent(s) / 2 h / 120 °C

With N-ethylmorpholine;; ammonium hydroxide; sodium hydroxide; thionyl chloride; copper(l) chloride; trichlorophosphate; In methanol; dichloromethane;
DOI:10.1021/jm00387a013