2-((Carboxymethyl)amino)-4-chlorobenzoic acid

Base Information

• Chemical Name: 2-((Carboxymethyl)amino)-4-chlorobenzoic acid
• CAS No.: 99282-79-8
• Molecular Formula: C9H8 Cl N O4
• Molecular Weight: 229.62
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID70455462
• Wikidata: Q82277493
• Mol file: 99282-79-8.mol

Synonyms:99282-79-8;2-((Carboxymethyl)amino)-4-chlorobenzoic acid;2-(carboxymethylamino)-4-chlorobenzoic acid;2-[(carboxymethyl)amino]-4-chlorobenzoic acid;2-(CARBOXYMETHYL-AMINO)-4-CHLORO-BENZOIC ACID;SCHEMBL3236365;DTXSID70455462;UDXGKLGUAJLLCJ-UHFFFAOYSA-N;AKOS015963713;2-carboxymethylamino-4-chlorobenzoic acid;AC-17987;2-((Carboxymethyl)amino)-4-chlorobenzoicacid

Chemical Property of 2-((Carboxymethyl)amino)-4-chlorobenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.669
• Boiling Point: 518.385°C at 760 mmHg
• Flash Point: 267.31°C
• PSA: 86.63000
• Density: 1.589g/cm³
• LogP: 1.60770
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 229.0141854
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

98.5% ^*data from raw suppliers

2-((Carboxymethyl)amino)-4-chlorobenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)NCC(=O)O)C(=O)O

Technology Process of 2-((Carboxymethyl)amino)-4-chlorobenzoic acid

There total 9 articles about 2-((Carboxymethyl)amino)-4-chlorobenzoic 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: 91.0%

2,4 dichlorobenzoic acid (50-84-0) + glycine (56-40-6,18875-39-3,25718-94-9) → 2-carboxymethylamino-4-chlorobenzoic acid (99282-79-8)

Guidance literature:

With copper; potassium carbonate; In N,N-dimethyl-formamide; at 25 ℃; for 0.416667h; ultrasonic irradiation;

DOI:10.1002/ejoc.200700281

Reference yield: 87.7%

cupric chloride + 2,4 dichlorobenzoic acid (50-84-0) + glycine (56-40-6,18875-39-3,25718-94-9) → 2-carboxymethylamino-4-chlorobenzoic acid (99282-79-8)

Guidance literature:

With hydrogenchloride; potassium hydroxide; potassium carbonate; In water;

Reference yield: 71.2%

→ 2-carboxymethylamino-4-chlorobenzoic acid (99282-79-8)

Guidance literature:

upstream raw materials:

chloroacetic acid

2-Amino-4-chlorobenzoic acid

2,4 dichlorobenzoic acid

glycine

Downstream raw materials:

[2-(1-(2'-bromobenzenesulfonyl)-6-chloro-1H-indol-3-yloxy)ethyl]dimethylamine

1-acetyl-6-chloro-1,2-dihydro-3H-indol-3-one

(S)-5-acetyl-7-chloro-4-phenyl-3,4-dihydropyrano[3,2-b]indol-2(5H)-one

(R)-5-acetyl-7-chloro-4-phenyl-3,4-dihydropyrano[3,2-b]indol-2(5H)-one

Refernces

• 1、 Nirogia, Ramakrishna V.S.,Kambhampati, Ramasastri,Daulatabad, Anand V.,Gudla, Parandhama,Shaikh, Mohammad,Achanta, Pramod Kumar,Shinde, Anil K.,Dubey, Pramod Kumar. "Design, synthesis and pharmacological evaluation of conformationally restricted N-arylsulfonyl-3-aminoalkoxy indoles as a potential 5-HT6 receptor ligands". scheme or table. p. 341 - 349. Retrieved 2012/01/06.
• 2、 Docampo, Maite L.,Pellon, Rolando F.,Estevez-Braun, Ana,Ravelo, Angel G.. "Ultrasound-promoted reaction of 2-chlorobenzoic acids and aliphatic amines". . p. 4111 - 4115. Retrieved 2008/02/13.