2-Chloro-6-fluoro-3-methylquinoline

Base Information

• Chemical Name: 2-Chloro-6-fluoro-3-methylquinoline
• CAS No.: 131610-11-2
• Molecular Formula: C₁₀H₇ClFN
• Molecular Weight: 195.624
• Hs Code.: 2933499090
• European Community (EC) Number: 800-413-3
• DSSTox Substance ID: DTXSID60588995
• Wikidata: Q82482057
• Mol file: 131610-11-2.mol

Synonyms:2-Chloro-6-fluoro-3-methylquinoline;131610-11-2;Quinoline, 2-chloro-6-fluoro-3-methyl-;SCHEMBL9251597;DTXSID60588995;MFCD09787671;AKOS012534901;AB51948;AS-80218;DB-098635;CS-0444535;F91989;2-Chloro-6-fluoro-3-methylquinoline, AldrichCPR;A888394

Chemical Property of 2-Chloro-6-fluoro-3-methylquinoline

Chemical Property:

• Vapor Pressure: 0.0036mmHg at 25°C
• Boiling Point: 290.5°C at 760 mmHg
• Flash Point: 129.5°C
• PSA: 12.89000
• Density: 1.311g/cm³
• LogP: 3.33570
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 195.0251051
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-6-fluoro-3-methylquinoline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=CC(=C2)F)N=C1Cl

Technology Process of 2-Chloro-6-fluoro-3-methylquinoline

There total 1 articles about 2-Chloro-6-fluoro-3-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: 5.0%

→ 2-chloro-6-fluoro-3-methylquinoline (131610-11-2)

Guidance literature:

Reference yield: 93.0%

2-chloro-6-fluoro-3-methylquinoline (131610-11-2) + p-hydroxymethylphenylboronic acid (59016-93-2) → [4-(6-fluoro-3-methylquinolin-2-yl)phenyl]methanol

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 90 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.bmc.2014.11.039

Reference yield: 86.0%

2-chloro-6-fluoro-3-methylquinoline (131610-11-2) + 4-(tetrahydro-2H-pyran-2-yloxy)phenylboronic acid (182281-01-2) → 6-fluoro-3-methyl-2-[4-(tetrahydro-2H-pyran-2-yloxy)phenyl]quinoline

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In 1,2-dimethoxyethane; water; at 100 ℃; for 16h;

DOI:10.1016/j.bmc.2014.11.039

Downstream raw materials:

5-(3-{[4-(6-fluoro-3-methylquinolin-2-yl)phenoxy]methyl}-1-methyl-1H-pyrazol-4-yl)-1-methylpyridin-2(1H)-one

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