Methyl 2-{[(benzyloxy)carbonyl]amino}propanoate

Base Information

• Chemical Name: Methyl 2-{[(benzyloxy)carbonyl]amino}propanoate
• CAS No.: 64562-95-4
• Molecular Formula: C12H15 N O4
• Molecular Weight: 237.255
• NSC Number: 164663
• DSSTox Substance ID: DTXSID20304219
• Nikkaji Number: J1.094.899A
• Mol file: 64562-95-4.mol

Synonyms:68223-02-9;METHYL 2-{[(BENZYLOXY)CARBONYL]AMINO}PROPANOATE;64562-95-4;NSC164663;SCHEMBL5412160;DTXSID20304219;AKOS008937826;NSC-164663;methyl N-[(benzyloxy)carbonyl]alaninate;CARBOBENZYLOXY-DL-ALANINE METHYL ESTER;FT-0686532

Chemical Property of Methyl 2-{[(benzyloxy)carbonyl]amino}propanoate

Chemical Property:

• Vapor Pressure: 1.17E-05mmHg at 25°C
• Boiling Point: 369.7°C at 760 mmHg
• Flash Point: 177.4°C
• Density: 1.16g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 237.10010796
• Heavy Atom Count: 17
• Complexity: 261

Purity/Quality:

HPLC>98% ^*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)OCC1=CC=CC=C1

Technology Process of Methyl 2-{[(benzyloxy)carbonyl]amino}propanoate

There total 36 articles about Methyl 2-{[(benzyloxy)carbonyl]amino}propanoate 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%

diazomethane (186581-53-3,908094-01-9,334-88-3) + N-benzyloxycarbonyl-D-alanine (26607-51-2) → N-benzyloxycarbonyl-D-alanine methyl ester (28819-05-8,64562-95-4,67799-99-9)

Guidance literature:

In diethyl ether;

DOI:10.1039/b004180g

Reference yield: 98.0%

methanol (67-56-1) + C20H23NO6S (139928-90-8) → N-benzyloxycarbonyl-D-alanine methyl ester (28819-05-8,64562-95-4,67799-99-9)

Guidance literature:

With magnesium; for 0.666667h; sonication: 35 kHz, 120-240 W;

DOI:10.1039/a701408b

Reference yield: 96.0%

methanol (67-56-1) + N-benzyloxycarbonylalanine (4132-86-9,26607-51-2,1142-20-7) → N-benzyloxycarbonyl-D-alanine methyl ester (28819-05-8,64562-95-4,67799-99-9)

Guidance literature:

With DMT*brucine tetrafluoroborate; brucine; In acetonitrile; at 0 - 20 ℃; optical yield given as %ee; enantioselective reaction;

DOI:10.1021/ol802691x

upstream raw materials:

methanol

N-benzyloxycarbonylalanine

methyl chloroformate

methyl iodide

Downstream raw materials:

(+/-)-N-benzyloxycarbonyl-DL-alanine-(cis-2-hydroxy-cyclohexylamide)

N-benzyloxycarbonyl-alanine-(2-hydroxy-ethylamide)

N-benzyloxycarbonyl-D-alanine

N-Cbz-Ala