2-Benzyl 1-(2-methyl-2-propanyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate | CAS No. 113400-36-5

2-Benzyl 1-(2-methyl-2-propanyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate

Basic Information

CAS Number

113400-36-5

Molecular Formula

C17H21NO5

Molecular Weight

319.36 g/mol

AD

Basic Physical Properties

Boiling Point

165℃ at 760 mmHg

CC(C)(C)OC(=O)N1[C@@H](CCC1=O)C(=O)OCc2ccccc2

InChI

InChI=1S/C17H21NO5/c1-17(2,3)23-16(21)18-13(9-10-14(18)19)15(20)22-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1

InChIKey

TZNBTMCEMLXYEM-ZDUSSCGKSA-N

LogP

2.655900000000001

Topological Polar Surface Area

72.91 Ų

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

462

Synonyms & References

English

  • (S)-2-Benzyl 1-tert-butyl 5-oxopyrrolidine-1,2-dicarboxylate
  • Boc-Pyr-Obzl
  • 2-O-benzyl 1-O-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
  • Boc-L-Pyroglutamic acid benzyl ester
  • Boc-Pyroglutamicacid. benzyl ester
  • (2S)-benzyl N-(tert-butyloxycarbonyl)-pyroglutamate
  • 1,2-Pyrrolidinedicarboxylic acid,5-oxo-,1-(1,1-dimethylethyl)2-(phenylmethyl) ester,(S)
  • 2-benzyl 1-tert-butyl (2S)-5-oxo-1,2-pyrrolidinedicarboxy
  • 2-benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
  • phenylmethyl (S)-1-(1,1-dimethylethoxycarbonyl)-5-oxopyrrolidine-2-carboxylate
  • PYR294
  • (2R)-5-Oxo-1,2-pyrrolidinedicarboxylic acid 1-(tert-butyl) 2-(phenylmethyl) ester
  • (Tert-Butoxy)Carbonyl Pyr-OBzl
  • 2-benzyl1-(tert-butyl)(S)-5-oxopyrrolidine-1,2-dicarboxylate
  • N-Boc-L-pyroglutamic acid benzyl ester
  • 2-benzyl 1-(tert-butyl) (S)-5-oxopyrrolidine-1,2-dicarboxylate
  • 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(1,1-dimethylethyl) 2-(phenylmethyl) ester, (2S)-
  • Boc-pyroglutamic acid benzyl ester

MDL Number

MFCD04115781

Customs Code

2933790090

FAQ

What are the physical and chemical properties of 2-Benzyl 1-(2-methyl-2-propanyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate (CAS: 113400-36-5)?

2-Benzyl 1-(2-methyl-2-propanyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate (CAS: 113400-36-5) is a crystalline solid with a molecular weight of approximately 371.38 g/mol. It has a limited solubility in water and is soluble in common organic solvents such as ethanol and acetone. The compound is moderately reactive and susceptible to hydrolysis under basic conditions. It does not exhibit significant reactivity towards common acids and bases, making it stable in neutral environments.

How is 2-Benzyl 1-(2-methyl-2-propanyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate (CAS: 113400-36-5) typically synthesized?

2-Benzyl 1-(2-methyl-2-propanyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate (CAS: 113400-36-5) can be synthesized via a multistep process involving the condensation of a benzyl ester with a pyrrolidine derivative. Commonly, a protecting group strategy is employed to control the reactivity of the intermediates. The reaction is typically carried out under mild conditions, with the use of a catalytic amount of a Lewis acid such as trifluoromethanesulfonic acid. The yield and selectivity can be improved by optimizing the reaction temperature and the choice of solvent.

What industries use 2-Benzyl 1-(2-methyl-2-propanyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate (CAS: 113400-36-5)?

2-Benzyl 1-(2-methyl-2-propanyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate (CAS: 113400-36-5) finds application in the pharmaceutical industry, particularly in the synthesis of certain APIs and intermediates. Its structural features make it useful for developing novel drugs. Additionally, it may be used in the production of polymers and as a reagent in analytical chemistry and sensor technology due to its reactivity and specific functional groups.

What precautions should be taken when handling 2-Benzyl 1-(2-methyl-2-propanyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate (CAS: 113400-36-5)?

When handling 2-Benzyl 1-(2-methyl-2-propanyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate (CAS: 113400-36-5), it is essential to wear appropriate personal protective equipment (PPE), such as gloves and safety goggles. Work should be performed in a well-ventilated area or a fume hood. In case of a spill, immediately clean up the area using appropriate absorbent materials and follow the manufacturer's guidelines. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.

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