L-Valine, N-methyl-, phenylmethyl ester

Base Information

• Chemical Name: L-Valine, N-methyl-, phenylmethyl ester
• CAS No.: 81135-38-8
• Molecular Formula: C13H19NO2
• Molecular Weight: 221.299
• Mol file: 81135-38-8.mol

Synonyms:(S)-3-Methyl-2-methylamino-butyric acid benzyl ester;N-Me-Val-OBzl;H-MeVal-OBzl;N-methylvaline-O-benzyl ester;N-methylvaline benzyl ester;

Chemical Property of L-Valine, N-methyl-, phenylmethyl ester

Chemical Property:

• Boiling Point: 66 - 70 °C (0.002 mmHg)
• PSA: 38.33000
• Density: 1.015±0.06 g/cm3(Predicted)
• LogP: 2.36470

Purity/Quality:

99% ^*data from raw suppliers

benzyl(2S)-3-methyl-2-(methylamino)butanoate 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of L-Valine, N-methyl-, phenylmethyl ester

There total 8 articles about L-Valine, N-methyl-, phenylmethyl ester 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: 97.0%

Methyl fluorosulfonate (421-20-5) + N-Benzyliden-(S)-valin-benzylester (109745-93-9) → benzyl (2S)-3-methyl-2-(methylamino)butanoate (81135-38-8)

Guidance literature:

In dichloromethane; at 0 ℃; for 17h;

Reference yield:

benzyl (2S)-2-[[(tert-butoxy)carbonyl](methyl)amino]-3-methylbutanoate (174602-80-3) → benzyl (2S)-3-methyl-2-(methylamino)butanoate (81135-38-8)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; Yield given;

DOI:10.1016/S0040-4039(98)01599-8

Reference yield:

t-Boc-L-valine (13734-41-3) → benzyl (2S)-3-methyl-2-(methylamino)butanoate (81135-38-8)

Guidance literature:

Multi-step reaction with 3 steps

1: NaH / tetrahydrofuran

2: Li₂CO₃ / dimethylformamide

3: TFA / CH₂Cl₂

With lithium carbonate; sodium hydride; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/S0040-4039(98)01599-8

upstream raw materials:

Methyl fluorosulfonate

N-Benzyliden-(S)-valin-benzylester

N,N-dimethylformamide dibenzyl acetal

Boc-N-Me-Val-OH

Downstream raw materials:

Boc-Leu-MeVal-OBn

benzyl (S)-2-((S)-2-((tert-butoxycarbonyl)(methyl)amino)-N,4-dimethylpentanamido)-3-methylbutanoate

(S)-2-[(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-methyl-amino]-3-methyl-butyric acid benzyl ester

Boc-MeLeu-MeLeu-MeVal-OBzl