(S)-Benzyl (1-amino-4-methyl-1-oxopentan-2-yl)carbamate

Base Information

• Chemical Name: (S)-Benzyl (1-amino-4-methyl-1-oxopentan-2-yl)carbamate
• CAS No.: 4801-79-0
• Molecular Formula: C14H20N2O3
• Molecular Weight: 264.324
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID40473234
• Nikkaji Number: J1.335.360C
• Wikidata: Q82302513
• Mol file: 4801-79-0.mol

Synonyms:4801-79-0;Z-LEU-NH2;(S)-Benzyl (1-amino-4-methyl-1-oxopentan-2-yl)carbamate;z-l-leucine amide;benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamate;MFCD00080252;SCHEMBL608854;DTXSID40473234;AKOS016004442;FD21853;AS-49227;N~2~-[(Benzyloxy)carbonyl]-L-leucinamide;CS-0154135;benzyl (1S)-1-(aminocarbonyl)-3-methylbutylcarbamate;(S)-Benzyl(1-amino-4-methyl-1-oxopentan-2-yl)carbamate;benzyl (S)-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate

Chemical Property of (S)-Benzyl (1-amino-4-methyl-1-oxopentan-2-yl)carbamate

Chemical Property:

• PSA: 81.42000
• LogP: 2.90400
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 264.14739250
• Heavy Atom Count: 19
• Complexity: 299

Purity/Quality:

95% ^*data from raw suppliers

Z-L-leucine amide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-Benzyl (1-amino-4-methyl-1-oxopentan-2-yl)carbamate

There total 15 articles about (S)-Benzyl (1-amino-4-methyl-1-oxopentan-2-yl)carbamate 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%

Z-Leu-OH (2018-66-8) + isobutyl chloroformate (543-27-1) → N-benzyloxycarbonyl-L-leucinamide (4801-79-0)

Guidance literature:

With 4-methyl-morpholine; ammonia; In tetrahydrofuran; ethyl acetate;

Reference yield: 86.0%

Z-Leu-OH (2018-66-8) → N-benzyloxycarbonyl-L-leucinamide (4801-79-0)

Guidance literature:

Z-Leu-OH; With chloroformic acid ethyl ester; triethylamine; In tetrahydrofuran; at 0 ℃; for 0.5h;

With ammonium chloride; In tetrahydrofuran; water; at 0 ℃; for 0.5h;

DOI:10.1016/j.tetasy.2017.10.015

Reference yield: 84.0%

N2-(Benzyloxycarbonyl)-N1-(1'-methoxymethyl)-L-leucinamid → N-benzyloxycarbonyl-L-leucinamide (4801-79-0)

Guidance literature:

With hydrogenchloride; for 4h;

DOI:10.1002/hlca.19890720302

upstream raw materials:

N-benzyloxycarbonyl-L-leucine methyl ester

N-Z-Leucine chloride

N-Benzyloxycarbonyl-L-leucin-

N-benzyloxycarbonyl-L-thioleucine S-phenyl ester

Downstream raw materials:

((R)-1-Isocyanato-3-methyl-butyl)-carbamic acid benzyl ester

N-((E)-1-propylpent-1-enyl)(2S)-4-methyl-2-[(phenylmethoxy)carbonylamino]pentanamide

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