2-CHLORO-4-CYANOBENZOIC ACID

Base Information

• Chemical Name: 2-CHLORO-4-CYANOBENZOIC ACID
• CAS No.: 117738-77-9
• Molecular Formula: C8H4ClNO2
• Molecular Weight: 181.578
• Hs Code.: 2926909090
• Mol file: 117738-77-9.mol

Synonyms:ONO AE3 208;4-Cyano-2-[[2-(4-fluoro-1-naphthalenyl)-1-oxopropyl]amino]benzenebutanoic acid;4-cyano-2-chlorobenzoic acid;4-[4-cyano-2-[2-(4-fluoro-1-naphthyl)propanoylamino]phenyl]butanoic acid;2-chloro-4-cyano-benzoic acid;ONO-AE3-208||ONO AE3 208;2-Chlor-4-cyan-benzoesaeure;

Chemical Property of 2-CHLORO-4-CYANOBENZOIC ACID

Chemical Property:

• PSA: 61.09000
• LogP: 1.90988
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-4-cyanobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-CHLORO-4-CYANOBENZOIC ACID

There total 12 articles about 2-CHLORO-4-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: 97.0%

2-chloro-4-cyano benzoic acid methyl ester (98592-34-8) → 2-chloro-4-cyanobenzoic acid (117738-77-9)

Guidance literature:

2-chloro-4-cyano benzoic acid methyl ester; With lithium hydroxide; In 1,4-dioxane; water; at 20 ℃; for 3h;

With hydrogenchloride; In water;

Reference yield: 37.0%

→ 4-(aminomethyl)-N-(4-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-2-chlorobenzamide + 2-chloro-4-cyanobenzoic acid (117738-77-9)

Guidance literature:

Reference yield: 25.0%

3-chloro-4-methylbenzonitrile (21423-81-4) → 2-chloro-4-cyanobenzoic acid (117738-77-9)

Guidance literature:

With chromium(VI) oxide; sulfuric acid; at 20 ℃; for 3h;

DOI:10.1021/jm030594r

upstream raw materials:

3-chloro-4-methylbenzonitrile

sulfuric acid

3-chloro-p-toluidine

2-chloro-4-cyano benzoic acid methyl ester

Downstream raw materials:

2-chloro-4-cyanobenzoyl chloride

(E)-2-chloro-4-(N'-hydroxycarbamimidoyl)benzoic acid

2-chloro-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid

2-chloro-[1,1'-biphenyl]-4-carbonitrile

Refernces

• 1、 Yea, Christopher M.,Allan, Christine E.,Ashworth, Doreen M.,Barnett, James,Baxter, Andy J.,Broadbridge, Janice D.,Franklin, Richard J.,Hampton, Sally L.,Hudson, Peter,Horton, John A.,Jenkins, Paul D.,Penson, Andy M.,Pitt, Gary R. W.,Rivière, Pierre,Robson, Peter A.,Rooker, David P.,Semple, Graeme,Sheppard, Andy,Haigh, Robert M.,Roe, Michael B.. "New benzylureas as a novel series of potent, nonpeptidic vasopressin V2 receptor agonists". scheme or table. p. 8124 - 8134. Retrieved 2009/11/30.
• 2、 Lobb, Karen L.,Hipskind, Philip A.,Aikins, James A.,Alvarez, Enrique,Cheung, Yiu-Yin,Considine, Eileen L.,De Dios, Alfonso,Durst, Gregory L.,Ferritto, Rafael,Grossman, Cora Sue,Giera, Deborah D.,Hollister, Beth A.,Huang, Zhongping,Iversen, Philip W.,Law, Kevin L.,Li, Tiechao,Lin, Ho-Shen,Lopez, Beatriz,Lopez, Jose E.,Martin Cabrejas, Luisa M.,McCann, Denis J.,Molero, Victoriano,Reilly, John E.,Richett, Michael E.,Shih, Chuan,Teicher, Beverly,Wikel, James H.,White, Wesley T.,Mader, Mary M.. "Acyl sulfonamide anti-proliferatives: Benzene substituent structure-activity relationships for a novel class of antitumor agents". . p. 5367 - 5380. Retrieved 2007/10/03.