(S)-Methyl 2-(((benzyloxy)carbonyl)amino)-4-methylpentanoate

Base Information

• Chemical Name: (S)-Methyl 2-(((benzyloxy)carbonyl)amino)-4-methylpentanoate
• CAS No.: 51021-87-5
• Molecular Formula: C15H21NO4
• Molecular Weight: 279.336
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID90366364
• Nikkaji Number: J240.046D
• Mol file: 51021-87-5.mol

Synonyms:51021-87-5;(S)-Methyl 2-(((benzyloxy)carbonyl)amino)-4-methylpentanoate;Z-LEU-OME;N-Cbz-L-leucine Methyl Ester;methyl (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate;N-benzyloxycarbonyl-L-leucine methyl ester;N-Cbz-L-leucineMethylEster;MFCD03424106;Z-Leu-methyl ester;SCHEMBL3978105;Z-L-LEUCINE METHYL ESTER;DTXSID90366364;FD21852;N-Carbobenzyloxy-L-Leucine, methyl ester;CS-12895;Methyl ((benzyloxy)carbonyl)-L-leucinate;N- benzyloxycarbonyl-L-leucine methyl ester;CS-0035574;(S)--N--(benzyloxycarbonyl)leucine methyl ester;A871395;Methyl 2-([(benzyloxy)carbonyl]amino)-4-methylpentanoate #;METHYL (2S)-2-{[(BENZYLOXY)CARBONYL]AMINO}-4-METHYLPENTANOATE

Chemical Property of (S)-Methyl 2-(((benzyloxy)carbonyl)amino)-4-methylpentanoate

Chemical Property:

• PSA: 64.63000
• LogP: 2.89140
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 279.14705815
• Heavy Atom Count: 20
• Complexity: 311

Purity/Quality:

97% ^*data from raw suppliers

Z-Leu-ome ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)OC)NC(=O)OCC1=CC=CC=C1
• Isomeric SMILES: CC(C)C[C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1

Technology Process of (S)-Methyl 2-(((benzyloxy)carbonyl)amino)-4-methylpentanoate

There total 28 articles about (S)-Methyl 2-(((benzyloxy)carbonyl)amino)-4-methylpentanoate 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%

methyl (L)-leucinate hydrochloride (7517-19-3) + benzyl chloroformate (501-53-1,94274-21-2) → N-benzyloxycarbonyl-L-leucine methyl ester (51021-87-5)

Guidance literature:

With sodium carbonate; In 1,4-dioxane; for 4h; Ambient temperature;

DOI:10.1021/jm980474x

Reference yield: 100.0%

leucine methyl ester hydrochloride (6322-53-8,5845-53-4,7517-19-3) + benzyl chloroformate (501-53-1,94274-21-2) → N-benzyloxycarbonyl-L-leucine methyl ester (51021-87-5)

Guidance literature:

With sodium carbonate; In 1,4-dioxane; water;

Reference yield: 100.0%

aqueous Na2 CO3 + (S)-Leu-OMe (2666-93-5) + phenyl chloroformate (1885-14-9) → N-benzyloxycarbonyl-L-leucine methyl ester (51021-87-5)

Guidance literature:

In 1,4-dioxane; water;

upstream raw materials:

O-benzyl 2,2,2-trichloroacetimidate

N-tert-butoxycarbonyl-L-leucine methyl ester

TEOC-Leu-OMe

methanol

Downstream raw materials:

N-benzyloxycarbonyl-L-leucinamide

N-benzyloxycarbonyl-L-leucine hydrazide

(S)-Leu-OMe

Cbz-Leu-Ala-NH₂