(2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid hydrochloride (1:1) | CAS No. 144540-75-0

(2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid hydrochloride (1:1)

Basic Information

CAS Number

144540-75-0

Molecular Formula

C9H16ClNO2

Molecular Weight

205.69 g/mol

AD

Basic Physical Properties

C1CCC2C(C1)CC(N2)C(=O)O.Cl

InChI

InChI=1S/C9H15NO2.ClH/c11-9(12)8-5-6-3-1-2-4-7(6)10-8;/h6-8,10H,1-5H2,(H,11,12);1H/t6-,7+,8+;/m1./s1

InChIKey

PONAUWFRJYNGAC-MWDCIYOWSA-N

LogP

1.4135

Topological Polar Surface Area

49.33 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

193

Synonyms & References

English

  • FD7233
  • (2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid;hydrochloride
  • SCHEMBL1041576
  • 144540-75-0
  • (2S,3aR,7aS)-1H-Octahydroindole-2-carboxylic acid hydrochloride
  • 1H-Indole-2-carboxylic acid, octahydro-, hydrochloride (1:1), (2S,3aR,7aS)-
  • DTXSID60647571
  • (2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid--hydrogen chloride (1/1)
  • (2S,3aR,7aS)-1H-octahydroindole-2-carboxylic acid HCl
  • (2S,3aR,7aS)-Octahydro-indole-2-carboxylic acid hydrochloride
  • (2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid hydrochloride
  • AKOS015915339
  • AC-8816
  • PONAUWFRJYNGAC-MWDCIYOWSA-N
  • AMY14951
  • (2S,3AR,7AS)-1H-OCTAHYDROINDOLE-2-CARBOXYLIC ACID HYDROCHLORIDE
  • (2S,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid,hydrochloride
  • octahydroindole-2-carboxylic acid hydrochloride
  • (2S,3aR,7aS)-octahydro-1H-indole-2-carboxylic acid
  • hydrochloride (1:1)

MDL Number

MFCD09839384

FAQ

What are the physical and chemical properties of (2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid hydrochloride (CAS: 144540-75-0)?

(2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid hydrochloride (CAS: 144540-75-0) is a white crystalline solid with a molecular weight of approximately 224.67 g/mol. It is slightly soluble in water and more soluble in organic solvents such as ethanol and methanol. This compound is known for its reactivity with bases and is susceptible to hydrolysis. It is often used in organic synthesis due to its structural complexity and potential for further derivatization.

How is (2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid hydrochloride (CAS: 144540-75-0) typically synthesized?

(2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid hydrochloride can be synthesized through a multi-step process starting from indole. Common methods involve first reacting indole with a suitable acid chloride or anhydride to form the indole-2-carboxylic acid derivative, followed by hydrochloric acid treatment to form the hydrochloride salt. The reaction typically requires careful control of temperature and pH to achieve high yield and selectivity.

What industries use (2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid hydrochloride (CAS: 144540-75-0)?

(2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid hydrochloride (CAS: 144540-75-0) is primarily used in the pharmaceutical industry for the synthesis of various indole-based drugs. It is also employed in the development of organic sensors and materials due to its unique chemical structure and reactivity. Additionally, its potential applications in the polymer industry for special functional polymers are being explored.

What precautions should be taken when handling (2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid hydrochloride (CAS: 144540-75-0)?

When handling (2S,3aR,7aS)-Octahydro-1H-indole-2-carboxylic acid hydrochloride (CAS: 144540-75-0), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place away from direct sunlight and sources of heat. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials and handled according to the safety data sheet (SDS) guidelines. It is also advisable to work in a well-ventilated area or fume hood to minimize exposure to airborne particles.

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