N-(2,5-Dichlorobenzoyl)glycine

Base Information

• Chemical Name: N-(2,5-Dichlorobenzoyl)glycine
• CAS No.: 667403-46-5
• Molecular Formula: C9H7Cl2NO3
• Molecular Weight: 248.065
• Hs Code.: 2924299090
• UNII: QQH7JVD5TT
• DSSTox Substance ID: DTXSID60602726
• Wikidata: Q82499890
• Mol file: 667403-46-5.mol

Synonyms:667403-46-5;2-(2,5-Dichlorobenzamido)acetic acid;N-(2,5-DICHLOROBENZOYL)GLYCINE;2-[(2,5-dichlorobenzoyl)amino]acetic acid;QQH7JVD5TT;Ixazomib metabolite M12;C9H7Cl2NO3;N-[(2,5-dichlorophenyl)carbonyl]glycine;Glycine, N-(2,5-dichlorobenzoyl)-;MFCD03175234;ML701201;[(2,5-DICHLOROPHENYL)FORMAMIDO]ACETIC ACID;CHEMBRDG-BB 7959525;UNII-QQH7JVD5TT;SCHEMBL8002583;DTXSID60602726;AMY39521;2-(2,5-Dichlorobenzamido)aceticacid;AKOS000158964;AC-29977;AS-10002;SY059075;DB-120739;CS-0151392;F16321;A856575

Chemical Property of N-(2,5-Dichlorobenzoyl)glycine

Chemical Property:

• Vapor Pressure: 7.93E-08mmHg at 25°C
• Boiling Point: 420.6°C at 760 mmHg
• PKA: 3.63±0.10(Predicted)
• Flash Point: 208.2°C
• PSA: 66.40000
• Density: 1.505g/cm³
• LogP: 2.19870
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 246.9802985
• Heavy Atom Count: 15
• Complexity: 260

Purity/Quality:

97% ^*data from raw suppliers

N-(2,5-Dichlorobenzoyl)glycine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C(=O)NCC(=O)O)Cl
• Uses: N-(2,5-Dichlorobenzoyl)glycine is an amino acid derivative.

Technology Process of N-(2,5-Dichlorobenzoyl)glycine

There total 7 articles about N-(2,5-Dichlorobenzoyl)glycine 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: 100.0%

C13H15Cl2NO3 → 2-[(2,5-dichlorobenzoyl)amino]acetic acid (667403-46-5)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

Reference yield: 97.7%

C10H6Cl2N2O + glycine (56-40-6,18875-39-3,25718-94-9) → 2-[(2,5-dichlorobenzoyl)amino]acetic acid (667403-46-5)

Guidance literature:

With water; sodium hydroxide; at 0 - 10 ℃; for 1h;

Reference yield: 97.3%

glycine (56-40-6,18875-39-3,25718-94-9) + 2,5-dichlorobenzoyl chloride (2905-61-5) → 2-[(2,5-dichlorobenzoyl)amino]acetic acid (667403-46-5)

Guidance literature:

glycine; 2,5-dichlorobenzoyl chloride; With sodium hydroxide; In tetrahydrofuran; water; at 0 ℃; pH=11.0;

With hydrogenchloride; In tetrahydrofuran; water; pH=2.5; Product distribution / selectivity;

upstream raw materials:

glycine

2,5-dichlorobenzoyl chloride

2-aminoethanoic acid hydrochloride

2,5-dichlorobenzoic acid

Downstream raw materials:

2,5-dichloro-N-[2-({(1R)-3-methyl-1-[(3aS,4S,6S,7aR)-3a,5,5-trimethylhexa-hydro-2H-4,6-methano-1,3,2-benzodioxaborol-2-yl]butyl}amino)-2-oxoethyl]benzamide

2,2’-{2-[(1R)-1-({[(2,5-dichlorobenzoyl)amino]acetyl}amino)-3-methylbutyl]-5-oxo-1,3,2-dioxaborolane-4,4-diyl}diacetic acid