L-Valine, (2S)-2-cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-Methyl-, Methyl ester

Base Information

• Chemical Name: L-Valine, (2S)-2-cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-Methyl-, Methyl ester
• CAS No.: 402958-95-6
• Molecular Formula: C20H30N4O4
• Molecular Weight: 390.483
• Hs Code.: 2934999090
• Mol file: 402958-95-6.mol

Synonyms:(2S)-Methyl 2-(2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoate;

Chemical Property of L-Valine, (2S)-2-cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-Methyl-, Methyl ester

Chemical Property:

• Boiling Point: 613℃
• Flash Point: 325℃
• PSA: 110.28000
• Density: 1.153
• LogP: 2.64100
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

(2S)-Methyl2-(2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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Technology Process of L-Valine, (2S)-2-cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-3-Methyl-, Methyl ester

There total 10 articles about L-Valine, (2S)-2-cyclohexyl-N-(2-pyrazinylcarbonyl)glycyl-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: 84.0%

(2S)-cyclohexyl[(pyrazin-2-ylcarbonyl)amino]ethanoic acid (848777-30-0) + (S)-2-amino-3,3-dimethyl-butyric acid methyl ester (63038-26-6) → (S)-methyl 2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoate (402958-95-6)

Guidance literature:

With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; for 72h;

DOI:10.1039/c0cc02823a

Reference yield:

N-(tert-butoxycarbonyl)-L-cyclohexylglycine (109183-71-3) → (S)-methyl 2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoate (402958-95-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 30 percent / HOBt; EDCl / tetrahydrofuran

2: HCl / dioxane; tetrahydrofuran

3: HOBt; EDCl

With hydrogenchloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; 1,4-dioxane;

DOI:10.1016/j.bmcl.2004.07.007

Reference yield:

(S)-2-((S)-2-tert-Butoxycarbonylamino-2-cyclohexyl-acetylamino)-3,3-dimethyl-butyric acid methyl ester (402958-93-4) → (S)-methyl 2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoate (402958-95-6)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl / dioxane; tetrahydrofuran

2: HOBt; EDCl

With hydrogenchloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; 1,4-dioxane;

DOI:10.1016/j.bmcl.2004.07.007

upstream raw materials:

L-tert-leucine methyl ester hydrochloride

N-(tert-butoxycarbonyl)-L-cyclohexylglycine

(S)-2-((S)-2-tert-Butoxycarbonylamino-2-cyclohexyl-acetylamino)-3,3-dimethyl-butyric acid methyl ester

(2S)-cyclohexyl[(pyrazin-2-ylcarbonyl)amino]ethanoic acid

Downstream raw materials:

(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide

C₃₈H₅₇N₇O₇

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