(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate

Base Information

• Chemical Name: (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate
• CAS No.: 328086-60-8
• Molecular Formula: C₁₃H₂₂N₂O₅
• Molecular Weight: 286.328
• Hs Code.: 2933399990
• UNII: S85KK39SU7
• Nikkaji Number: J1.584.036F
• Mol file: 328086-60-8.mol

Synonyms:328086-60-8;(alphaS,3S)-alpha-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester;(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate;Methyl (S)-2-(Boc-amino)-3-[(S)-2-oxo-3-pyrrolidinyl]propanoate;Methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;methyl (S)-2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate;C13H22N2O5;MFCD28138267;methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate;Methyl (S)-2-[(tert-butoxycarbonyl)amino]-3-((S)-2-oxopyrrolidin-3-yl)propanoate;S85KK39SU7;SCHEMBL6530320;AC9266;WS-01807;CS-0139871;A937303;Methyl(S)-2-(Boc-amino)-3-[(S)-2-oxo-3-pyrrolidinyl]propanoate;(|AS,3S)-|A-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester;(S)-Methyl 2-((t-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate;3-Pyrrolidinepropanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-, methyl ester, (alphaS,3S)-;Methyl (alphaS,3S)-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-3-pyrrolidinepropanoate

Chemical Property of (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate

Chemical Property:

• Melting Point: 110-114°C
• Boiling Point: 471.5±20.0 °C(Predicted)
• PKA: 10.97±0.46(Predicted)
• Density: 1.142±0.06 g/cm3(Predicted)
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 286.15287181
• Heavy Atom Count: 20
• Complexity: 389

Purity/Quality:

99% ^*data from raw suppliers

(αS,3S)-α-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1CCNC1=O)C(=O)OC
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)OC
• Description: Methyl (S)-2-(Boc-amino)-3-[(S)-2-oxo-3-pyrrolidinyl]propanoate is a carboxylate derivative and can be used as a pharmaceutical intermediate.Used in the preparation of protease inhibitor.
• Uses: (αS,3S)-α-[(tert-Butyloxycarbonyl)aMino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester is used in the preparation of protease inhibitor.

Technology Process of (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate

There total 13 articles about (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate 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: 55.0%

(2S,4S)-2-tert-butoxycarbonylamino-4-cyanomethyl-pentadioic acid dimethyl ester (328086-57-3) → (2S)-2-(tert-butoxycarbonylamino)-3-[(3'S)-2'-oxo-3'-pyrrolidinyl]propanoic acid methy ester (328086-60-8)

Guidance literature:

With sodium tetrahydridoborate; CoCl₂·6H₂O; In methanol; at 20 ℃; for 12h; Cooling with ice;

Reference yield:

(2S,4S)-2-(2-Amino-ethyl)-4-tert-butoxycarbonylamino-pentanedioic acid dimethyl ester (328086-58-4) → (2S)-2-(tert-butoxycarbonylamino)-3-[(3'S)-2'-oxo-3'-pyrrolidinyl]propanoic acid methy ester (328086-60-8)

Guidance literature:

With sodium carbonate; In methanol; chloroform; for 6h; pH=7; Heating;

DOI:10.1021/jm050548m

Reference yield:

L-glutamic acid (56-86-0,21675-62-7,23009-64-5,25104-13-6,84960-48-5,25513-46-6) → (2S)-2-(tert-butoxycarbonylamino)-3-[(3'S)-2'-oxo-3'-pyrrolidinyl]propanoic acid methy ester (328086-60-8)

Guidance literature:

Multi-step reaction with 5 steps

1.1: TMSCl / 15 h / 20 °C

2.1: 88.0 g / Et₃N / methanol / 20 °C

3.1: LiHMDS / tetrahydrofuran / 1.5 h / -78 °C

3.2: 83 percent / tetrahydrofuran / -78 °C

4.1: H₂ / Pd/C / 2 h / 3620.04 Torr

5.1: 5.55 g / Et₃N / tetrahydrofuran / 60 °C

With chloro-trimethyl-silane; hydrogen; triethylamine; lithium hexamethyldisilazane; palladium on activated charcoal; In tetrahydrofuran; methanol;

DOI:10.1021/jm0603926

upstream raw materials:

(2S,4S)-2-(2-Amino-ethyl)-4-tert-butoxycarbonylamino-pentanedioic acid dimethyl ester

L-glutamic acid

L-glutamic acid dimethyl ester

dimethyl (2S)-2-[(tert-butoxycarbonyl)amino]pentanedioate

Downstream raw materials:

[2-hydroxy-1S-(2-oxopyrrolidin-3S-ylmethyl)ethyl]carbamic acid tert-butyl ester

(S)-2-{(S)-2-[(2S,3R)-2-((S)-2-Acetylamino-3-methyl-butyrylamino)-3-benzyloxy-butyrylamino]-4-methyl-pentanoylamino}-3-((S)-2-oxo-pyrrolidin-3-yl)-propionic acid methyl ester

(2S,5S,8S,11S)-8-((R)-1-(benzyloxy)ethyl)-5-isobutyl-11-isopropyl-4,7,10,13-tetraoxo-2-((S)-2-oxopyrrolidin-3-yl)methyl-3,6,9,12-tetraazatetradecan-1-oic acid

methyl (2S)-2-[[(2S)-2-amino-3-cyclohexyl-propanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate

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