Benzoylglycylglycine

Base Information

• Chemical Name: Benzoylglycylglycine
• CAS No.: 1145-32-0
• Molecular Formula: C11H12 N2 O4
• Molecular Weight: 236.227
• Hs Code.: 2924299090
• NSC Number: 89164
• DSSTox Substance ID: DTXSID70150748
• Nikkaji Number: J208.002H
• Wikidata: Q83016936
• ChEMBL ID: CHEMBL452143
• Mol file: 1145-32-0.mol

Synonyms:N-hippurylglycine

Chemical Property of Benzoylglycylglycine

Chemical Property:

• Melting Point: 206 °C
• Boiling Point: 637.1°Cat760mmHg
• Flash Point: 339.1°C
• PSA: 95.50000
• Density: 1.313g/cm³
• LogP: 0.39900
• Storage Temp.: -15°C
• Solubility.: almost transparency in hot Methanol
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 236.07970687
• Heavy Atom Count: 17
• Complexity: 298

Purity/Quality:

97% ^*data from raw suppliers

Bz-Gly-Gly-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzoylglycylglycine

There total 46 articles about Benzoylglycylglycine 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: 94.0%

Bz-Gly-ONPh (3101-11-9) + glycine (56-40-6,18875-39-3,25718-94-9) → N-(N'-benzoyl-2-aminoethanoyl)-2-aminoethanoic acid (1145-32-0)

Guidance literature:

With sodium hydroxide; In water; butan-1-ol; Ambient temperature;

Reference yield: 92.0%

glycylglycine (556-50-3) + benzoyl chloride (98-88-4) → N-(N'-benzoyl-2-aminoethanoyl)-2-aminoethanoic acid (1145-32-0)

Guidance literature:

With dodecyltrimethylammonium bromide; sodium carbonate; In tetrahydrofuran; Heating;

DOI:10.1081/SCC-100000582

Reference yield:

glycylglycine (556-50-3) + p-nitrophenylbenzoate (959-22-8) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + N-(N'-benzoyl-2-aminoethanoyl)-2-aminoethanoic acid (1145-32-0)

Guidance literature:

In water; dimethyl sulfoxide; at 25 ℃; Rate constant;

DOI:10.1139/cjc-76-6-729

upstream raw materials:

Glycine anhydride

N-[(benzoylamino)acetyl]glycine ethyl ester

hippuric acid-(2-bromo-allylamide)

Benzoylglycylglycine methyl ester

Downstream raw materials:

Benzoylglycylglycine methyl ester

1-hippuroyl-2-thioxo-imidazolidin-4-one

N-[(benzoylamino)acetyl]glycine ethyl ester

N-(N-benzoyl-glycyl)-glycine anilide