(S)-2-(2-Benzamidoacetamido)-3-phenylpropanoic acid

Base Information

• Chemical Name: (S)-2-(2-Benzamidoacetamido)-3-phenylpropanoic acid
• CAS No.: 744-59-2
• Molecular Formula: C18H18 N2 O4
• Molecular Weight: 326.352
• Hs Code.: 2924299090
• European Community (EC) Number: 212-016-7
• Nikkaji Number: J187.504C
• Mol file: 744-59-2.mol

Synonyms:BzGly-Phe;hippuryl-L-((3)H)-phenylalanine;N-(hippuryl)phenylalanine

Chemical Property of (S)-2-(2-Benzamidoacetamido)-3-phenylpropanoic acid

Chemical Property:

• Vapor Pressure: 4.78E-19mmHg at 25°C
• Melting Point: 140-144 °C
• Boiling Point: 673.3°C at 760 mmHg
• Flash Point: 361°C
• PSA: 95.50000
• Density: 1.267g/cm³
• LogP: 2.01030
• Storage Temp.: −20°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 326.12665706
• Heavy Atom Count: 24
• Complexity: 440

Purity/Quality:

99% ^*data from raw suppliers

(S)-2-(2-Benzamidoacetamido)-3-PhenylpropanoicAcid ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CNC(=O)C2=CC=CC=C2
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CNC(=O)C2=CC=CC=C2
• Uses: (S)-2-(2-Benzamidoacetamido)-3-Phenylpropanoic Acid is used as a substrate in the quantification of carboxypeptidase A’s activity.

Technology Process of (S)-2-(2-Benzamidoacetamido)-3-phenylpropanoic acid

There total 10 articles about (S)-2-(2-Benzamidoacetamido)-3-phenylpropanoic 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: 78.0%

L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) + Bz-Gly-ONPh (3101-11-9) → N-benzoylglycyl-L-phenylalanine (744-59-2)

Guidance literature:

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

Reference yield: 70.0%

L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) + N-[2-Oxo-2-(2-thioxo-thiazolidin-3-yl)-ethyl]-benzamide (80681-03-4) → N-benzoylglycyl-L-phenylalanine (744-59-2)

Guidance literature:

Ambient temperature;

DOI:10.1016/S0040-4039(01)81933-X

Reference yield:

phenyl hippurate (2979-54-6) + L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) → N-benzoylglycyl-L-phenylalanine (744-59-2)

Guidance literature:

With dmap; benzotriazol-1-ol; In aq. phosphate buffer; acetonitrile; at 40 ℃; for 24h; pH=7.6;

DOI:10.2174/09298665113206660097

upstream raw materials:

L-phenylalanine

Bz-Gly-ONPh

N-[2-Oxo-2-(2-thioxo-thiazolidin-3-yl)-ethyl]-benzamide

PhCO-Gly-PheOMe

Downstream raw materials:

Hippuric Acid

Phenylalanine

L-phenylalanine

Bz-Gly-Phe-NH₂

Refernces

• 1、 Litvinenko, L. M.,Kosmynin, V. V.,Kaida, L. N.,Savelova, V. A.,Verbovaya, I. P.. "SYNTHESIS OF N-PROTECTED DIPEPTIDES UNDER THE CONDITIONS OF PHASE TRANSFER CATALYSIS". . p. 784 - 785. Retrieved 2007/10/02.