| Identification | Back Directory | [Name]
2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID | [CAS]
6052-68-2 | [Synonyms]
H-TPI-OH
DL-Tpi-OH
AKOS BC-1280
AKOS BBS-00007515
Tryptophan EP Impurity H
N-Acetyltryptophan EP Impurity H
TETRAHYDRO-BETA-CARBOLINECARBOXYLICACID
(S)-(-)-2 3 4 9-TETRAHYDRO-1H-PYRIDO &
TETRAHYDRO-BETA-CARBOLINE-3-CARBOXYLICACID
1,2,3,4-TETRAHYDRONORHARMANE-3-CARBOXYLIC ACID
1,2,3,4-TETRAHYDRO-2-CARBOLINE-3-CARBOXYLICACID
Tryptophan Impurity 5（Tryptophan EP Impurity H）
2,3,4,9-Tetrahydro-1H-β-carboline-3-carboxylic acid
1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid
1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-3-CARBOXYLIC ACID
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
1H-Pyrido[3,4-b]indole-3-carboxylic acid, 2,3,4,9-tetrahydro- | [Molecular Formula]
C12H12N2O2 | [MDL Number]
MFCD00204332 | [MOL File]
6052-68-2.mol | [Molecular Weight]
216.24 |
| Chemical Properties | Back Directory | [Melting point ]
289 °C (dec.)(lit.)
| [Boiling point ]
485.0±45.0 °C(Predicted) | [density ]
1.377±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [pka]
2.28±0.20(Predicted) | [Appearance]
Light brown to brown Solid | [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) | [InChIKey]
FSNCEEGOMTYXKY-UHFFFAOYSA-N | [SMILES]
N1C2=C(C=CC=C2)C2CC(C(O)=O)NCC1=2 |
| Hazard Information | Back Directory | [Definition]
ChEBI: A member of the class of beta-carbolines that is 1,2,3,4-tetrahydro-beta-carboline substituted at position 3 by a carboxy group. | [Synthesis]
The general procedure for the synthesis of 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid from formaldehyde and L-tryptophan was as follows: first, 1-propanesulfonic acid (817 mg, 4 mmol) was mixed with 2.5 M NaOH solution (1.6 mL), and the mixture was stirred at room temperature until it became clear. Subsequently, 37% formalin (4.87 mL) was added to the mixture. The reaction mixture was stirred at room temperature for 2 hours and then refluxed for 3 hours. Upon completion of the reaction, it was neutralized with 2 M HCl solution to pH 5. The precipitate precipitated was filtered, washed sequentially with water and methanol and finally dried under vacuum to afford the target product 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid. The yield of this step was 99% and the product was a colorless solid with a melting point of 302.2-304.6 °C. Mass spectrometry (FAB) analysis showed m/z 217 (M+1, 100%). | [References]
[1] European Journal of Medicinal Chemistry, 2011, vol. 46, # 2, p. 636 - 646
[2] Acta chemica Scandinavica (Copenhagen, Denmark : 1989), 1994, vol. 48, # 5, p. 434 - 438
[3] Patent: CN106432235, 2017, A. Location in patent: Paragraph 0217; 0218
[4] Patent: US2013/178629, 2013, A1. Location in patent: Paragraph 0109
[5] Molecules, 2010, vol. 15, # 11, p. 7775 - 7791 |
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