9H-pyrido[3,4-b]indole-3-carboxylic acid

Base Information

• Chemical Name: 9H-pyrido[3,4-b]indole-3-carboxylic acid
• CAS No.: 74214-63-4
• Molecular Formula: C12H8N2O2
• Molecular Weight: 212.208
• European Community (EC) Number: 872-753-0
• NSC Number: 623957
• DSSTox Substance ID: DTXSID30225209
• Nikkaji Number: J331.234H
• Wikidata: Q83104134
• ChEMBL ID: CHEMBL11908,CHEMBL1972187
• Mol file: 74214-63-4.mol

Synonyms:9H-pyrido(3,4-b)indole-3-carboxylic acid;beta-carboline carboxylic acid;carboline-3-carboxylic acid

Chemical Property of 9H-pyrido[3,4-b]indole-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.95E-12mmHg at 25°C
• Boiling Point: 538.7°Cat760mmHg
• Flash Point: 279.6°C
• PSA: 65.98000
• Density: 1.497g/cm³
• LogP: 2.41430
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 212.058577502
• Heavy Atom Count: 16
• Complexity: 295

Purity/Quality:

NLT 98% ^*data from raw suppliers

9H-Pyrido[3,4-b]indole-3-carboxylicacid 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)O

Technology Process of 9H-pyrido[3,4-b]indole-3-carboxylic acid

There total 27 articles about 9H-pyrido[3,4-b]indole-3-carboxylic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

ethyl 9H-pyrido[3,4-b]indole-3-carboxylate (74214-62-3) → β-carboline-3-carboxylic acid (74214-63-4)

Guidance literature:

With sodium hydroxide; for 8h;

DOI:10.1246/bcsj.56.1450

Reference yield: 100.0%

methyl 9H-β-carboline-3-carboxylate (69954-48-9) → β-carboline-3-carboxylic acid (74214-63-4)

Guidance literature:

With sodium hydroxide; for 8h;

DOI:10.1246/bcsj.56.1450

Reference yield: 98.0%

9H-pyrido[3,4-b]indole-3-carbaldehyde (82596-91-6) → β-carboline-3-carboxylic acid (74214-63-4)

Guidance literature:

With formic acid; dihydrogen peroxide; at 0 - 4 ℃; for 12h;

DOI:10.1055/s-1993-25851

upstream raw materials:

methyl 1-chloro-N-(methoxymethyl)pyrido[3,4-b]indole-3-carboxylate

1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid

methyl 9H-β-carboline-3-carboxylate

ethyl 9H-pyrido[3,4-b]indole-3-carboxylate

Downstream raw materials:

methyl 9H-β-carboline-3-carboxylate

Benzyl 9-benzylpyrido<3,4-b>indole-3-carboxylate

butyl β-carboline-3-carboxylate

C₄₇H₄₂N₁₆O₉