(2S)-2-Benzyl-4-[(3aR,7aS)-octahydro-2H-isoindol-2-yl]-4-oxobutanoic acid | CAS No. 145375-43-5

(2S)-2-Benzyl-4-[(3aR,7aS)-octahydro-2H-isoindol-2-yl]-4-oxobutanoic acid

Basic Information

CAS Number

145375-43-5

Molecular Formula

C19H25NO3

Molecular Weight

315.41 g/mol

AD

Basic Physical Properties

Specific Rotation

D24 -3.2° (c = 1.04 in methanol); D18 -3.5° (c = 1.00 in methanol)

C1CCC2CN(CC2C1)C(=O)CC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H25NO3/c21-18(20-12-15-8-4-5-9-16(15)13-20)11-17(19(22)23)10-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2,(H,22,23)/t15-,16+,17-/m0/s1

InChIKey

WPGGHFDDFPHPOB-BBWFWOEESA-N

LogP

2.9686000000000012

Topological Polar Surface Area

57.61 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

416

Synonyms & References

English

  • Kad-1229
  • (S)-2-benzyl-4-((3aR,7aS)-1H-isoindol-2(3H,3aH,4H,5H,6H,7H,7aH)-yl)-4-oxobutanoic acid
  • (S)-2-benzyl-3-(cis-hexahydro-2-isoindolinylcarbonyl)propionic acid
  • WPGGHFDDFPHPOB-BBWFWOEESA-N
  • KAD 1229
  • (2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-oxidanylidene-2-(phenylmethyl)butanoic acid
  • (-)-(2S,3a,7a-cis)-alpha-Benzylhexahydro-gamma-oxo-2-isoindolinebutyric acid
  • (2S)-4-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoic acid
  • HY-B0682
  • MITIGLINIDE [MART.]
  • (S)-2-Benzyl-4-((3aR,7aS)-octahydro-2H-isoindol-2-yl)-4-oxobutanoic acid
  • MITIGLINIDE [MI]
  • (2S)-4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxobutanoic acid
  • NS00068476
  • CHEMBL471498
  • D86I0XLB13
  • Mitiglinide
  • CS-0009585
  • 145375-43-5
  • Mitiglinide [INN]
  • DTXSID4048303
  • CHEBI:135349
  • 9I0
  • [2(s)-cis]-octahydro-gamma-oxo-alpha-(phenylmethyl)-2h-isoindole-2-butanoic acid
  • DB01252
  • SCHEMBL49085
  • Q266321
  • AKOS025149480
  • MITIGLINIDE [WHO-DD]
  • Mitiglinide calcium
  • UNII-D86I0XLB13

MDL Number

MFCD08458378

Customs Code

2942000000

FAQ

What regulatory guidelines apply to (2S)-2-Benzyl-4-[(3aR,7aS)-octahydro-2H-isoindol-2-yl]-4-oxobutanoic acid (CAS: 145375-43-5)?

The compound (2S)-2-Benzyl-4-[(3aR,7aS)-octahydro-2H-isoindol-2-yl]-4-oxobutanoic acid (CAS: 145375-43-5) is subject to the Hazardous Chemical Management Regulations (GHS) and REACH regulations. FDA and EPA may also have specific requirements for its use and disposal. It is important to comply with local and international regulations to ensure safe handling and use.

Are there alternatives to (2S)-2-Benzyl-4-[(3aR,7aS)-octahydro-2H-isoindol-2-yl]-4-oxobutanoic acid in synthesis?

Synthesizers often explore alternatives such as isomers or analogs like (2R)-2-Benzyl-4-[(3aR,7aS)-octahydro-2H-isoindol-2-yl]-4-oxobutanoic acid. Common alternative reagents may include benzylamine and isoindole derivatives to achieve similar objectives in chemical synthesis.

What is the market or research trend for (2S)-2-Benzyl-4-[(3aR,7aS)-octahydro-2H-isoindol-2-yl]-4-oxobutanoic acid (CAS: 145375-43-5)?

The market for (2S)-2-Benzyl-4-[(3aR,7aS)-octahydro-2H-isoindol-2-yl]-4-oxobutanoic acid (CAS: 145375-43-5) is currently focused on its potential applications in pharmaceuticals and research. Recent trends indicate growing interest in its use for medicinal chemistry and drug development. Research is also exploring its biological activities and potential therapeutic uses.

How should waste containing (2S)-2-Benzyl-4-[(3aR,7aS)-octahydro-2H-isoindol-2-yl]-4-oxobutanoic acid (CAS: 145375-43-5) be handled?

Waste containing (2S)-2-Benzyl-4-[(3aR,7aS)-octahydro-2H-isoindol-2-yl]-4-oxobutanoic acid (CAS: 145375-43-5) should be collected and disposed of in accordance with local regulations. Liquid waste should be neutralized and treated before disposal. Incineration or professional waste disposal services are recommended to ensure safe and environmentally friendly handling. Always follow safety precautions and use appropriate protective equipment.

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