3-Chloro-4-methylquinoline

Base Information

• Chemical Name: 3-Chloro-4-methylquinoline
• CAS No.: 56961-79-6
• Molecular Formula: C10H8 Cl N
• Molecular Weight: 177.633
• DSSTox Substance ID: DTXSID60205534
• Wikidata: Q83079138
• Mol file: 56961-79-6.mol

Synonyms:3-Chloro-4-methylquinoline;56961-79-6;Quinoline, 3-chloro-4-methyl-;CCRIS 7772;3-Chlorlepidin;SCHEMBL3151805;DTXSID60205534;AKOS006277483;SB68153;NCGC00188284-01;LS-188655;FT-0766143

Chemical Property of 3-Chloro-4-methylquinoline

Chemical Property:

• Vapor Pressure: 0.00746mmHg at 25°C
• Boiling Point: 277.9°Cat760mmHg
• Flash Point: 148.5°C
• PSA: 12.89000
• Density: 1.225g/cm³
• LogP: 3.19660
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 177.0345270
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98.5% ^*data from raw suppliers

3-Chloro-4-methylquinoline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=NC2=CC=CC=C12)Cl

Technology Process of 3-Chloro-4-methylquinoline

There total 2 articles about 3-Chloro-4-methylquinoline 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: 67.0%

3-Methylindole (83-34-1) + chloroform (67-66-3,8013-54-5) → 3-Chloro-4-methylquinoline (56961-79-6)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In water; at 0 - 20 ℃;

DOI:10.1021/ja1048847

Reference yield:

3-Methylindole (83-34-1) + benzyltrimethylammonium chloride (56-93-9) → 3-Chloro-4-methylquinoline (56961-79-6)

Guidance literature:

With sodium hydroxide; In chloroform; water; benzene;

Reference yield: 96.0%

2-Biphenylboronic acid (4688-76-0) + 3-Chloro-4-methylquinoline (56961-79-6) → 3-([1,1’-biphenyl]-2yl)-4-methylquinoline

Guidance literature:

With potassium phosphate; dicyclohexyl[2-(2,4,6-triisopropylphenyl)phenyl]phosphane; palladium diacetate; In 1,4-dioxane; water; at 90 ℃; Inert atmosphere;

DOI:10.1039/d1cc04335h

upstream raw materials:

3-Methylindole

chloroform

benzyltrimethylammonium chloride

Downstream raw materials:

4-Methyl-3-phenylquinoline

Refernces

• 1、 Rousseaux, Sophie,Davi, Michael,Sofack-Kreutzer, Julien,Pierre, Cathleen,Kefalidis, Christos E.,Clot, Eric,Fagnou, Keith,Baudoin, Olivier. "Intramolecular palladium-catalyzed alkane C-H arylation from aryl chlorides". supporting information; experimental part. p. 10706 - 10716. Retrieved 2010/09/17.