1H-Indole-3-carbonyl chloride

Base Information

• Chemical Name: 1H-Indole-3-carbonyl chloride
• CAS No.: 59496-25-2
• Molecular Formula: C9H6ClNO
• Molecular Weight: 179.606
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50495407
• Nikkaji Number: J1.495.948C
• Wikidata: Q82343502
• Mol file: 59496-25-2.mol

Synonyms:1H-INDOLE-3-CARBONYL CHLORIDE;59496-25-2;1H-Indole-3-carbonylchloride;indole-3-carbonyl chloride;indole 3-carbonyl chloride;SCHEMBL72811;DTXSID50495407;indole-3-carboxylic acid chloride;IIJFYTVJRDKVCI-UHFFFAOYSA-N;MFCD09833817;1H-indole-3-carboxylic acid chloride;AKOS006326639;AS-9434;EN300-135759;A905085;F2190-0146

Chemical Property of 1H-Indole-3-carbonyl chloride

Chemical Property:

• Melting Point: 130 °C (decomp)
• Boiling Point: 340.3±15.0 °C(Predicted)
• PKA: 14.82±0.30(Predicted)
• PSA: 32.86000
• Density: 1.400±0.06 g/cm3(Predicted)
• LogP: 2.54690
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 179.0137915
• Heavy Atom Count: 12
• Complexity: 195

Purity/Quality:

97% ^*data from raw suppliers

1H-Indole-3-carbonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)Cl

Technology Process of 1H-Indole-3-carbonyl chloride

There total 8 articles about 1H-Indole-3-carbonyl chloride 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%

1H-indole-3-carboxylic acid (771-50-6) → Indole-3-carbonyl chloride (59496-25-2)

Guidance literature:

With oxalyl dichloride; formamide; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1021/np800334j

Reference yield:

indole (120-72-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → Indole-3-carbonyl chloride (59496-25-2)

Guidance literature:

With thionyl chloride; In dichloromethane; at 25 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.tetlet.2020.151651

Reference yield:

1H-indole-3-carboxylic acid (771-50-6) + oxalyl dichloride (79-37-8) → Indole-3-carbonyl chloride (59496-25-2)

Guidance literature:

In hexane; dichloromethane;

upstream raw materials:

1H-indole-3-carboxylic acid

indolyl-3-glyoxylyl chloride

indole

oxalyl dichloride

Downstream raw materials:

N-(indole-3-carbonyl)-phenylalanine-methyl ester

N-(p-tolyl)-1H-indole-3-carboxamide

1H-indole-3-(N-phenyl)carboxamide

1H-indole-3-carboxamide