(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate | CAS No. 328086-60-8

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

Basic Information

CAS Number

328086-60-8

Molecular Formula

C13H22N2O5

Molecular Weight

286.33 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)NC(CC1CCNC1=O)C(=O)OC

InChI

InChI=1S/C13H22N2O5/c1-13(2,3)20-12(18)15-9(11(17)19-4)7-8-5-6-14-10(8)16/h8-9H,5-7H2,1-4H3,(H,14,16)(H,15,18)/t8-,9-/m0/s1

InChIKey

HTQMBOWAEPNWLI-IUCAKERBSA-N

LogP

0.5788999999999995

Topological Polar Surface Area

93.72999999999999 Ų

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

389

Synonyms & References

English

  • (αS,3S)-α-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester
  • (2S)-2-(tert-butoxycarbonylamino)-3-[(3'S)-2'-oxo-3'-pyrrolidinyl]propanoic acid methy ester
  • (aS,3S)-a-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-3-Pyrrolidinepropanoic acid methyl ester
  • methyl (S)-2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate
  • methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
  • (
  • S85KK39SU7
  • Methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
  • MFCD28138267
  • (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
  • CS-0139871
  • 3-Pyrrolidinepropanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-, methyl ester, (alphaS,3S)-
  • (aS,3S)-a-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-oxo-3-pyrrolidinepropanoic Acid Methyl Ester
  • Methyl(S)-2-(Boc-amino)-3-[(S)-2-oxo-3-pyrrolidinyl]propanoate
  • 328086-60-8
  • Methyl (alphaS,3S)-alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-2-oxo-3-pyrrolidinepropanoate
  • Methyl (S)-2-[(tert-butoxycarbonyl)amino]-3-((S)-2-oxopyrrolidin-3-yl)propanoate
  • SCHEMBL6530320
  • A-[(tert-Butyloxycarbonyl)amino]-2-oxo-3-pyrrolidinepropanoic acid Methyl Ester
  • C13H22N2O5
  • WS-01807
  • (S)-Methyl 2-((t-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate
  • AC9266
  • Methyl (S)-2-(Boc-amino)-3-[(S)-2-oxo-3-pyrrolidinyl]propanoate
  • AS,3S)-
  • A937303

MDL Number

MFCD28138267

FAQ

What are the physical and chemical properties of (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate (CAS: 328086-60-8)?

(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate is a white crystalline solid with a molecular weight of approximately 327.44 g/mol. It has a melting point of around 110-112°C and is sparingly soluble in water but more soluble in organic solvents like dichloromethane and ethanol. This compound exhibits moderate reactivity, particularly towards nucleophilic substitution and ester hydrolysis.

How is (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate (CAS: 328086-60-8) typically synthesized?

(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate is usually synthesized by reacting 3-(S)-2-oxopyrrolidin-1-yl)propan-2-one with (S)-2-aminotetrahydropyranyl N-tert-butoxycarbonylamine in the presence of a suitable base. The reaction yields a high level of purity and selectivity, with a typical yield of 70-80%.

What industries use (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate (CAS: 328086-60-8)?

(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate is primarily used in the pharmaceutical and organic synthesis industries. It serves as a valuable intermediate in the preparation of various biologically active compounds and is also utilized in polymer synthesis and sensor applications.

What precautions should be taken when handling (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate (CAS: 328086-60-8)?

When handling (S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-((S)-2-oxopyrrolidin-3-yl)propanoate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be stored in a dry, cool place away from heat and direct sunlight. In case of a spill, use appropriate spill cleanup procedures and refer to the Safety Data Sheet (SDS) for detailed instructions. Always work in a well-ventilated area or a fume hood to minimize inhalation risk.

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