L-Valine, N-(2-cyanoacetyl)-N-(3,3-dimethylbutyl)-3-methyl-, methyl ester

Base Information

• Chemical Name: L-Valine, N-(2-cyanoacetyl)-N-(3,3-dimethylbutyl)-3-methyl-, methyl ester
• CAS No.: 1162665-53-3
• Molecular Formula: C₁₆H₂₈N₂O₃
• Molecular Weight: 296.41
• Hs Code.: 2926909090
• Mol file: 1162665-53-3.mol

Synonyms:VAL009;L-Valine,N-(2-cyanoacetyl)-N-(3,3-dimethylbutyl)-3-methyl-,methyl ester;(S)-Methyl 2-(2-cyano-N-(3,3-dimethylbutyl)acetamido)-3,3-dimethylbutanoate;N-(2-Cyanoacetyl)-N-(3,3-dimethylbutyl)-3-methyl-L-valine methyl ester;

Chemical Property of L-Valine, N-(2-cyanoacetyl)-N-(3,3-dimethylbutyl)-3-methyl-, methyl ester

Chemical Property:

• Boiling Point: 404.7±30.0 °C(Predicted)
• PKA: 5.43±0.10(Predicted)
• PSA: 70.40000
• Density: 1.006
• LogP: 2.75258
• Storage Temp.: 2-8°C

Purity/Quality:

98%Min ^*data from raw suppliers

(S)-Methyl2-(2-cyano-N-(3,3-dimethylbutyl)acetamido)-3,3-dimethylbutanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of L-Valine, N-(2-cyanoacetyl)-N-(3,3-dimethylbutyl)-3-methyl-, methyl ester

There total 3 articles about L-Valine, N-(2-cyanoacetyl)-N-(3,3-dimethylbutyl)-3-methyl-, methyl 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:

C13H27NO2 + cyanoacetic acid (372-09-8) → C16H28N2O3 (1162665-53-3)

Guidance literature:

With dicyclohexyl-carbodiimide; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bmcl.2017.01.017

Reference yield:

methyl tert-leucinate (3850-31-5) → C16H28N2O3 (1162665-53-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium cyanoborohydride; triethylamine / methanol / 20 °C

2: dicyclohexyl-carbodiimide / dichloromethane; N,N-dimethyl-formamide / 20 °C

With sodium cyanoborohydride; triethylamine; dicyclohexyl-carbodiimide; In methanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2017.01.017

Reference yield:

4,4-dimethylpentanal (926-36-3) → C16H28N2O3 (1162665-53-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium cyanoborohydride; triethylamine / methanol / 20 °C

2: dicyclohexyl-carbodiimide / dichloromethane; N,N-dimethyl-formamide / 20 °C

With sodium cyanoborohydride; triethylamine; dicyclohexyl-carbodiimide; In methanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2017.01.017

upstream raw materials:

cyanoacetic acid

methyl tert-leucinate

4,4-dimethylpentanal

Refernces