2-Piperazinecarboxylicacid,6-(1-methylethyl)-,methylester,(2S)-(9CI)

Base Information

• Chemical Name: 2-Piperazinecarboxylicacid,6-(1-methylethyl)-,methylester,(2S)-(9CI)
• CAS No.: 363191-96-2
• Molecular Formula: C₉H₁₈N₂O₂
• Molecular Weight: 186.254
• Mol file: 363191-96-2.mol

Synonyms:2-Piperazinecarboxylicacid,6-(1-methylethyl)-,methylester,(2S)-(9CI);METHYL (2S)-6-(1-METHYLETHYL)PIPERAZINE-2-CARBOXYLATE

Chemical Property of 2-Piperazinecarboxylicacid,6-(1-methylethyl)-,methylester,(2S)-(9CI)

Chemical Property:

• PSA: 50.36000
• LogP: 0.40300

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-Piperazinecarboxylicacid,6-(1-methylethyl)-,methylester,(2S)-(9CI)

There total 1 articles about 2-Piperazinecarboxylicacid,6-(1-methylethyl)-,methylester,(2S)-(9CI) 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: 93.0%

(S)-2-Benzyloxycarbonylamino-3-(3-methyl-2-oxo-butylamino)-propionic acid methyl ester (363191-95-1) → (S)-6-Isopropyl-piperazine-2-carboxylic acid methyl ester (363191-96-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1016/j.bmcl.2005.02.068

Reference yield:

(S)-6-Isopropyl-piperazine-2-carboxylic acid methyl ester (363191-96-2) → 2-[2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethylcarbamoyl]-6-isopropyl-piperazine-1,4-dicarboxylic acid di-tert-butyl ester (363191-99-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 62 percent / TEA / CH₂Cl₂

2: 53 percent / aq. NaOH / methanol

3: 48 percent / EDC; HOBt; DIEA / CH₂Cl₂

With sodium hydroxide; TEA; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; In methanol; dichloromethane;

DOI:10.1016/j.bmcl.2005.02.068

Reference yield:

(S)-6-Isopropyl-piperazine-2-carboxylic acid methyl ester (363191-96-2) → (S)-6-Isopropyl-piperazine-2-carboxylic acid [(R)-2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethyl]-amide; compound with trifluoro-acetic acid

Guidance literature:

Multi-step reaction with 4 steps

1: 62 percent / TEA / CH₂Cl₂

2: 53 percent / aq. NaOH / methanol

3: 48 percent / EDC; HOBt; DIEA / CH₂Cl₂

4: 97 percent / CH₂Cl₂

With sodium hydroxide; TEA; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; In methanol; dichloromethane;

DOI:10.1016/j.bmcl.2005.02.068

upstream raw materials:

(S)-2-Benzyloxycarbonylamino-3-(3-methyl-2-oxo-butylamino)-propionic acid methyl ester

Downstream raw materials:

2-[2-(4-tert-butylcarbamoyl-4-cyclohexyl-piperidin-1-yl)-1-(4-fluoro-benzyl)-2-oxo-ethylcarbamoyl]-6-isopropyl-piperazine-1,4-dicarboxylic acid di-tert-butyl ester