2-Chloro-3-(chloromethyl)-7-methylquinoline

Base Information

• Chemical Name: 2-Chloro-3-(chloromethyl)-7-methylquinoline
• CAS No.: 521915-96-8
• Molecular Formula: C11H9Cl2N
• Molecular Weight: 226.105
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID40356179
• Wikidata: Q82135404
• ChEMBL ID: CHEMBL1556908
• Mol file: 521915-96-8.mol

Synonyms:2-chloro-3-(chloromethyl)-7-methylquinoline;521915-96-8;2-Chloro-3-chloromethyl-7-methylquinoline;HMS2756P16;MLS000771378;CHEMBL1556908;DTXSID40356179;MFCD03426605;AKOS001079728;AB14993;SMR000344477;EN300-10365;AO-289/25117010;Z56347310

Chemical Property of 2-Chloro-3-(chloromethyl)-7-methylquinoline

Chemical Property:

• Vapor Pressure: 0.000101mmHg at 25°C
• Boiling Point: 348.5°C at 760 mmHg
• Flash Point: 195.4°C
• PSA: 12.89000
• Density: 1.309g/cm³
• LogP: 3.93540
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 225.0112047
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-3-(chloromethyl)-7-methylquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=NC(=C(C=C2C=C1)CCl)Cl

Technology Process of 2-Chloro-3-(chloromethyl)-7-methylquinoline

There total 4 articles about 2-Chloro-3-(chloromethyl)-7-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: 88.0%

3-(hydroxymethyl)-2-chloro-7-methylquinoline (170848-22-3) → 2-chloro-3-(chloromethyl)-7-methylquinoline (521915-96-8)

Guidance literature:

With thionyl chloride; In benzene; at 80 ℃;

DOI:10.1016/j.bmcl.2015.01.012

Reference yield:

2-chloro-3-formyl-7-methylquinoline (68236-21-5) → 2-chloro-3-(chloromethyl)-7-methylquinoline (521915-96-8)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium tetrahydroborate / ethanol / 20 °C

2: thionyl chloride / benzene / 80 °C

With sodium tetrahydroborate; thionyl chloride; In ethanol; benzene;

DOI:10.1016/j.bmcl.2015.01.012

Reference yield:

1-amino-3-methylbenzene (108-44-1) → 2-chloro-3-(chloromethyl)-7-methylquinoline (521915-96-8)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene

2: POCl₃ / dimethylformamide

With trichlorophosphate; In N,N-dimethyl-formamide; toluene;

DOI:10.1016/0960-894X(96)00288-0

upstream raw materials:

3-chloro-N-(3-methylphenyl)propionamide

N,N-dimethyl-formamide

1-amino-3-methylbenzene

3-(hydroxymethyl)-2-chloro-7-methylquinoline

Downstream raw materials:

C₂₈H₂₀Cl₂N₂O₂

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