Phe-gly

Base Information

• Chemical Name: Phe-gly
• CAS No.: 721-90-4
• Molecular Formula: C11H14 N2 O3
• Molecular Weight: 222.244
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID901315619
• Nikkaji Number: J79.926B
• Wikidata: Q27142685
• Pharos Ligand ID: D2W11M9VF94W
• Metabolomics Workbench ID: 78923
• ChEMBL ID: CHEMBL417979
• Mol file: 721-90-4.mol

Synonyms:L-phenylalanylglycine;Phe-GLy;phenylalanylglycine

Chemical Property of Phe-gly

Chemical Property:

• Vapor Pressure: 2.51E-11mmHg at 25°C
• Melting Point: ~260 °C (dec.)
• Boiling Point: 512.5°C at 760 mmHg
• PKA: 3.13±0.10(Predicted)
• Flash Point: 263.7°C
• PSA: 92.42000
• Density: 1.259g/cm³
• LogP: 0.84840
• Storage Temp.: -15°C
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 222.10044231
• Heavy Atom Count: 16
• Complexity: 250

Purity/Quality:

97% ^*data from raw suppliers

Phe-Gly-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 2218143
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)NCC(=O)O)N
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)O)N

Technology Process of Phe-gly

There total 45 articles about Phe-gly 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%

(S)-2-(2-(((benzyloxy)carbonyl)amino)-3-phenylpropanamido)acetic acid (13122-99-1) → (S)-PheGly (721-90-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; at 20 ℃; for 24h; under 760.051 Torr;

DOI:10.3390/molecules22081328

Reference yield: 99.9%

methyl (2S)-2-amino-3-phenylpropanoate (2577-90-4) + methoxycarbonylmethylamine (616-34-2) → (S)-PheGly (721-90-4)

Guidance literature:

methyl (2S)-2-amino-3-phenylpropanoate; at 50 ℃; Ionic liquid; Inert atmosphere;

With trifluoroacetic acid;

methoxycarbonylmethylamine; Temperature; Further stages;

Reference yield: 94.0%

ethyl (N-tert-butoxycarbonyl-L-phenylalanyl)glycinate (30189-51-6) → (S)-PheGly (721-90-4) + cyclo(Gly-Phe) (5037-75-2,10125-07-2,23927-19-7)

Guidance literature:

With water; In N,N-dimethyl-formamide; at 150 ℃; for 2.5h; enantioselective reaction; Microwave irradiation;

DOI:10.1016/j.bioorg.2010.05.002

upstream raw materials:

Cbz-Phe-Gly-OBn

N-formyl-L-phenylalanylglycine

N-(N-benzyloxycarbonyl-L-phenylalanyl)-glycine-(4-nitro-benzyl ester)

Pht

Downstream raw materials:

Phenylalanyl-glycinanhydrid

benzyloxycarbonyl-D-Phe-Phe-Gly

Ts-Phe-Gly

(S)-2-(2-(((benzyloxy)carbonyl)amino)-3-phenylpropanamido)acetic acid