Quinoline-3-carbonyl Chloride

Base Information

• Chemical Name: Quinoline-3-carbonyl Chloride
• CAS No.: 84741-86-6
• Molecular Formula: C10H6ClNO
• Molecular Weight: 191.617
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID40452549
• Wikidata: Q82273252
• Mol file: 84741-86-6.mol

Synonyms:Quinoline-3-carbonyl Chloride;84741-86-6;3-QUINOLINECARBONYL CHLORIDE;QUINOLINE-3-CARBONYLCHLORIDE;SCHEMBL336044;DTXSID40452549;3-quinolylcarboxylic acid chloride;HNUSZIQSLZBZTO-UHFFFAOYSA-N;MFCD11100097;AKOS006309503

Chemical Property of Quinoline-3-carbonyl Chloride

Chemical Property:

• PSA: 29.96000
• LogP: 2.61380
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 191.0137915
• Heavy Atom Count: 13
• Complexity: 207

Purity/Quality:

99%, ^*data from raw suppliers

Quinoline-3-carbonyl chloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(C=N2)C(=O)Cl

Technology Process of Quinoline-3-carbonyl Chloride

There total 4 articles about Quinoline-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: 90.0%

quinoline-3-carboxylic acid (6480-68-8) → quinoline-3-carbonyl chloride (84741-86-6)

Guidance literature:

With thionyl chloride; In toluene; at 100 ℃; for 12h;

Reference yield:

3-bromoquinoline (5332-24-1) + butyryl chloride (141-75-3) → quinoline-3-carbonyl chloride (84741-86-6)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 100 ℃; for 16h; Sealed tube; Inert atmosphere;

DOI:10.1002/anie.202005891

Reference yield:

quinoline-3-carboxylic acid (6480-68-8) + oxalyl dichloride (79-37-8) → quinoline-3-carbonyl chloride (84741-86-6)

Guidance literature:

In dichloromethane; N,N-dimethyl-formamide;

upstream raw materials:

quinoline-3-carboxylic acid

oxalyl dichloride

3-bromoquinoline

carbon monoxide

Downstream raw materials:

phenyl(quinolin-3-yl)methanone

3-phenyl-2(RS)-{2-[(quinoline-3-carbonyl)-amino]-benzoylamino}-propionic acid ethyl ester

C₁₇H₂₄N₃O₃COCCHCHNC₆H₄

C₁₇H₂₄N₃O₃COCCHCHNC₆H₄