Methyl N-[(benzyloxy)carbonyl]glycylalaninate

Base Information

• Chemical Name: Methyl N-[(benzyloxy)carbonyl]glycylalaninate
• CAS No.: 16816-28-7
• Molecular Formula: C14H18 N2 O5
• Molecular Weight: 294.307
• NSC Number: 169168
• DSSTox Substance ID: DTXSID80305121
• Mol file: 16816-28-7.mol

Synonyms:16816-28-7;NSC169168;SCHEMBL21563247;DTXSID80305121;NSC-169168;Methyl N-[(benzyloxy)carbonyl]glycylalaninate

Chemical Property of Methyl N-[(benzyloxy)carbonyl]glycylalaninate

Chemical Property:

• Vapor Pressure: 5.91E-10mmHg at 25°C
• Boiling Point: 495.4°Cat760mmHg
• Flash Point: 253.4°C
• Density: 1.209g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 294.12157168
• Heavy Atom Count: 21
• Complexity: 366

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)OC)NC(=O)CNC(=O)OCC1=CC=CC=C1

Technology Process of Methyl N-[(benzyloxy)carbonyl]glycylalaninate

There total 15 articles about Methyl N-[(benzyloxy)carbonyl]glycylalaninate 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%

L-Alanine methyl ester (10065-72-2) + N-(Benzyloxycarbonyl)glycine (1138-80-3) → methyl 2-[({[(benzyloxy)carbonyl]amino}acetyl)amino]propanoate (16816-28-7)

Guidance literature:

With pyridine; 1-hydroxy-pyrrolidine-2,5-dione; dicyclohexyl-carbodiimide; In acetonitrile; at 25 ℃; for 7h;

DOI:10.1016/S0040-4039(01)00763-8

Reference yield: 90.0%

carbobenzyloxyglycinesuccinimido ester (60341-62-0) + L-alanine methyl ester hydrochloride (2491-20-5) → methyl 2-[({[(benzyloxy)carbonyl]amino}acetyl)amino]propanoate (16816-28-7)

Guidance literature:

With sodium hydrogencarbonate; In tetrahydrofuran; water; for 16h; Ambient temperature;

DOI:10.1021/jm00105a025

Reference yield: 71.0%

L-alanine methyl ester hydrochloride (2491-20-5) + N-(Benzyloxycarbonyl)glycine (1138-80-3) → methyl 2-[({[(benzyloxy)carbonyl]amino}acetyl)amino]propanoate (16816-28-7)

Guidance literature:

With 4-methyl-morpholine; dicyclohexyl-carbodiimide; In dichloromethane; at 0 ℃; for 2h;

upstream raw materials:

Z-Gly-O-hexafluorisopropyl

L-alanine methyl ester hydrochloride

L-Alanine methyl ester

N-(Benzyloxycarbonyl)glycine

Downstream raw materials:

(S)-2-(2-Benzyloxycarbonylamino-acetylamino)-propionic acid

methyl 1-benzyloxycarbonyl-2-methyl-4-oxoimidazolidin-2-carboxylate

N-benzyloxycarbonylglycyl-α-methoxyalanine methyl ester

benzyloxycarbonylglycyl-alanine hydrazide