4-Chloro-9H-pyrido[2,3-b]indole

Base Information

• Chemical Name: 4-Chloro-9H-pyrido[2,3-b]indole
• CAS No.: 25208-32-6
• Molecular Formula: C11H6ClN2
• Molecular Weight: 201.63174
• DSSTox Substance ID: DTXSID80434662
• Nikkaji Number: J2.733.070C
• Wikidata: Q82249131
• Mol file: 25208-32-6.mol

Synonyms:4-Chloro-9H-pyrido[2,3-b]indole;25208-32-6;4-Chloro alpha-Carboline;4-Chloro-1H-pyrido[2,3-b]indole;9H-Pyrido[2,3-b]indole, 4-chloro-;4-Chloro |A-Carboline;4-Chloro ?-Carboline;4-Chloro-alpha-carboline;4-Chloro alpha -Carboline;SCHEMBL675631;DTXSID80434662;HPSXHMSNDHDHJK-UHFFFAOYSA-N;4-chloro-9H-pyrido[2,3-b] indole;PS-17852;FT-0664600;F89257;J-015872

Chemical Property of 4-Chloro-9H-pyrido[2,3-b]indole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 231-233.5 °C
• Boiling Point: 386.804°C at 760 mmHg
• PKA: 13.62±0.40(Predicted)
• Flash Point: 219.81°C
• PSA: 28.68000
• Density: 1.436g/cm³
• LogP: 3.36950
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 202.0297759
• Heavy Atom Count: 14
• Complexity: 221

Purity/Quality:

99% ^*data from raw suppliers

4-Chloroα-Carboline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C(C=CN=C3N2)Cl
• Uses: α-Carboline (C176600) derivative as antiviral agent.

Technology Process of 4-Chloro-9H-pyrido[2,3-b]indole

There total 7 articles about 4-Chloro-9H-pyrido[2,3-b]indole 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: 71.0%

9H-pyrido[2,3-b]indole 1-oxide (26148-55-0) → 4-chloro-9-H-pyrido[2,3-b]indole (25208-32-6)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

DOI:10.1016/j.bmcl.2014.03.002

Reference yield: 58.0%

α-carboline (244-76-8) → 4-chloro-9-H-pyrido[2,3-b]indole (25208-32-6)

Guidance literature:

α-carboline; With dihydrogen peroxide; acetic acid; for 5h; Reflux;

With trichlorophosphate; In N,N-dimethyl-formamide; at 0 ℃; for 24h; Inert atmosphere;

DOI:10.1080/14756366.2016.1247062

Reference yield:

C11H8N2O → 4-chloro-9-H-pyrido[2,3-b]indole (25208-32-6)

Guidance literature:

With trichlorophosphate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bmcl.2008.08.054

upstream raw materials:

1-(pyridin-2-yl)-1H-benzo[d][1,2,3]triazole

α-carboline

1,2,3-Benzotriazole

2-bromo-pyridine

Downstream raw materials:

C₁₈H₂₁N₃

4-(styryl)-9H-pyrido[2,3-b]indole

4-(4-methoxyphenyl)-9H-pyrido[2,3-b]indole

4-(3-nitrophenyl)-9H-pyrido[2,3-b]indole

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