1H-Indole-6-carbonyl chloride

Base Information

• Chemical Name: 1H-Indole-6-carbonyl chloride
• CAS No.: 215941-02-9
• Molecular Formula: C₉H₆ClNO
• Molecular Weight: 179.606
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID30594427
• Wikidata: Q82489255
• Mol file: 215941-02-9.mol

Synonyms:1H-INDOLE-6-CARBONYL CHLORIDE;215941-02-9;SCHEMBL7243647;DTXSID30594427;AKOS025133540;DB-345751

Chemical Property of 1H-Indole-6-carbonyl chloride

Chemical Property:

• PSA: 32.86000
• LogP: 2.54690
• XLogP3: 3.1
• 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:

99%, ^*data from raw suppliers

tert-Butyl6-(Chlorocarbonyl)-1H-indole-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CN2)C(=O)Cl

Technology Process of 1H-Indole-6-carbonyl chloride

There total 1 articles about 1H-Indole-6-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:

Indole-6-carboxylic acid (1670-82-2,261352-47-0) → C9H6NClO (215941-02-9)

Guidance literature:

With 1-chloro-1-(dimethylamino)-2-methyl-1-propene; In dichloromethane; for 0.5h;

DOI:10.1021/ml200018n

Reference yield:

C9H6NClO (215941-02-9) + 4-amino-5-[2,4-bis(benzyloxy)-5-isopropylphenyl]isoxazole-3-carboxylic acid ethylamide (1202920-72-6) → 1H-indole-6-carboxylic acid [5-(2,4-dihydroxy-5-isopropyl-phenyl)-3-ethylcarbamoylisoxazol-4-yl]amide (1202921-50-3)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 5 h / Inert atmosphere

2: boron trichloride / dichloromethane / 1.17 h / 0 - 20 °C / Inert atmosphere

With boron trichloride; triethylamine; In dichloromethane;

DOI:10.1021/jm201155e

Reference yield:

C9H6NClO (215941-02-9) + 4-amino-5-[2,4-bis(benzyloxy)-5-isopropylphenyl]isoxazole-3-carboxylic acid ethylamide (1202920-72-6) → C38H36N4O5

Guidance literature:

With triethylamine; In dichloromethane; for 5h; Inert atmosphere;

DOI:10.1021/jm201155e

upstream raw materials:

Indole-6-carboxylic acid

Downstream raw materials:

1H-indole-6-carboxylic acid [5-(2,4-dihydroxy-5-isopropyl-phenyl)-3-ethylcarbamoylisoxazol-4-yl]amide

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