(3S)-2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid

Basic Information

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CAS Number

42438-90-4

Molecular Formula

C12H12N2O2

Molecular Weight

216.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

289 °C (dec.)

Boiling Point

485.0±45.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

247.1±28.7 °C

Solubility

soluble1.5mg/mL, clear (Solvent: 0.1N HCl:DMSO (1:1); warmed)

Refractive Index

1.692

Vapor Pressure

0.0±1.3 mmHg at 25°C

SMILES

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C1C(NCC2=C1C3=CC=CC=C3N2)C(=O)O

InChI

InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m0/s1

InChIKey

FSNCEEGOMTYXKY-JTQLQIEISA-N

LogP

1.2667999999999997

Topological Polar Surface Area

65.12 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

295

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
BIDD:GT0550
H-Tpi-OH;L-1,2,3,4-Tetrahydro--carboline-3-carboxylic acid;L-Tryptoline-3-carboxylic acid;L-1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylic acid
(S)-2,3,4,9-TETRAHYDRO-1H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLICACID
(3S)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid
TNCA, >=98% (HPLC)
(S)-1,2,3,4-Tetrahydronorharmane-3-carboxylic acid
CS-0082781
Lycoperodine-1
L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
AKOS004907297
(3S)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
(S)-(-)-2,3,4,9-tetrahydro-1H-pyrido(3,4-B)indole-3-carboxylic
CYCLOMETHYLTRYPTOPHAN
DTXSID40962491
Q27466042
SCHEMBL416557
42438-90-4
AKOS015856022
H-Tpi-OH
AC-25326
(3S)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylic acid
3S_2349_Tetrahydro_1h_pyrido_34b_indole_carboxylic_acid
FSNCEEGOMTYXKY-JTQLQIEISA-N
CHEMBL155546
(3S)-2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid
EN300-312396
L-1,2,3,4-tetrahydronorharmane-3-carboxylic acid
A15567
(-)-(3s)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid
MFCD00272641

MDL Number

MFCD00272641

Customs Code

2933990090

FAQ

What are the physical and chemical properties of (3S)-2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS: 42438-90-4)?

(3S)-2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid is a crystalline solid with a molecular weight of approximately 203.17 g/mol. It is poorly soluble in water but soluble in organic solvents like ethanol and acetone. The compound exhibits basic properties due to the carboxylic acid group and beta-carboline ring system. It is chemically stable under normal conditions but may degrade under strongly acidic or basic environments.

How is (3S)-2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS: 42438-90-4) typically synthesized?

(3S)-2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid can be synthesized through various routes, including condensation of beta-carboline with an appropriate carboxylic acid derivative. Common methods involve esterification of the beta-carboline with a carboxylic acid or using a ring-opening reaction followed by a carboxylation step. These processes yield high selectivity and good yields, making them suitable for industrial-scale production.

What industries use (3S)-2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS: 42438-90-4)?

(3S)-2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid finds applications in pharmaceuticals, where it serves as a precursor for drug development. It is also utilized in the production of dyes and pigments, and as a component in some agricultural and cosmetic products. Its unique chemical structure makes it valuable in research for its potential in biotechnology and material science applications.

What precautions should be taken when handling (3S)-2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid (CAS: 42438-90-4)?

When handling (3S)-2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be absorbed with appropriate materials and disposed of according to local regulations. Always consult the safety data sheet (SDS) for detailed information and emergency procedures.