2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate | CAS No. 487048-28-2

2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate

Basic Information

CAS Number

487048-28-2

Molecular Formula

C12H18N2O4

Molecular Weight

17.03 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)C#N

InChI

InChI=1S/C12H18N2O4/c1-12(2,3)18-11(16)14-7-8(6-13)5-9(14)10(15)17-4/h8-9H,5,7H2,1-4H3/t8-,9+/m1/s1

InChIKey

GHLKJIQVORAVHE-BDAKNGLRSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

391

Safety Information

View Safety Information

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • 1-O-tert-butyl 2-O-methyl (2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylate
  • 1,2-Pyrrolidinedicarboxylicacid,4-cyano-,1-(1,1-dimethylethyl)2-methyl ester,(2S,4S)-
  • 487048-28-2
  • A26546
  • MFCD03787928
  • DTXSID40590516
  • 1-tert-butyl 2-methyl (2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylate
  • AKOS015850933
  • 1,2-Pyrrolidinedicarboxylic acid, 4-cyano-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
  • CS-0186054
  • GHLKJIQVORAVHE-BDAKNGLRSA-N
  • (2S,4S)-1-(tert-butoxycarbonyl)-4-cyano-2-methylpyrrolidine-2-carboxylic acid
  • (2S,4S)-1-tert-butyl 2-methyl 4-cyanopyrrolidine-1,2-dicarboxylate
  • AM86115
  • AKOS015907655
  • SCHEMBL203240
  • AS-72013
  • 1,2-pyrrolidinedicarboxylic acid,4-cyano-,1-tert-butyl 2-methyl ester,(2s,4s)-
  • Boc-cis-4-cyano-L-proline methyl ester
  • AC-28746
  • N-BOC-CIS-4-CYANO-L-PROLINEMETHYLESTER
  • N-Boc-cis-4-cyano-L-proline methyl ester
  • SC5051
  • 1,2-Pyrrolidinedicarboxylicacid, 4-cyano-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4S)-
  • Boc-Cis-4-Cyano-L-Proline Methyl Ester
  • cis-N-Boc-4-cyano-L-proline methyl ester
  • (2S,4R)-dibenzyl 4-cyanopyrrolidine-1,2-dicarboxylate
  • N-BOC-CIS-4-CYANO-L-PROLINE METHYL ESTER
  • N-Boc-cis-4-cyano-D-prolinemethylester
  • 4208AE
  • A

MDL Number

MFCD03787928

FAQ

What are the physical and chemical properties of 2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate (CAS: 487048-28-2)?

2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate is a crystalline compound with a molecular weight of approximately 292.28 g/mol. It has a high solubility in organic solvents like DMSO and poor solubility in water. The compound is reactive, particularly with bases and reducing agents. It exhibits moderate reactivity in esterification and amidation reactions.

How is 2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate (CAS: 487048-28-2) typically synthesized?

2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate can be synthesized via a multi-step process involving the cyanation of 2-methyl-2-propanol followed by a Wittig reaction. Commonly used catalysts include triphosgene and triphenylphosphine. The yield is typically around 75-85%, with high selectivity for the desired stereochemistry.

What industries use 2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate (CAS: 487048-28-2)?

2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate finds application in pharmaceuticals for the synthesis of certain drug intermediates. It is also used in the polymer industry for the development of advanced polymers with specific properties. Additionally, it has potential applications in the production of sensors and semiconductors due to its unique chemical structure.

What precautions should be taken when handling 2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate (CAS: 487048-28-2)?

When handling 2-Methyl 1-(2-methyl-2-propanyl) (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate, strict safety precautions must be followed. Wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. Spills should be handled using suitable absorbent materials, and the area should be thoroughly cleaned. Always refer to the Safety Data Sheet (SDS) for detailed instructions and emergency procedures.

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