4-Chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile

Base Information

• Chemical Name: 4-Chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile
• CAS No.: 214470-68-5
• Molecular Formula: C14H12Cl2N2O2
• Molecular Weight: 311.167
• DSSTox Substance ID: DTXSID20459233
• Nikkaji Number: J3.426.264K
• Wikidata: Q72517858
• Mol file: 214470-68-5.mol

Synonyms:214470-68-5;4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile;4-CHLORO-7-(3-CHLORO-PROPOXY)-6-METHOXY-QUINOLINE-3-CARBONITRILE;4-chloro-7-(3-chloropropoxy)-6-methoxy-3-quinolinecarbonitrile;MFCD09833974;3-Quinolinecarbonitrile,4-chloro-7-(3-chloropropoxy)-6-methoxy-;3-Quinolinecarbonitrile, 4-chloro-7-(3-chloropropoxy)-6-methoxy-;SCHEMBL4296487;DTXSID20459233;BEGHZKYNLSIHIA-UHFFFAOYSA-N;AMY16533;BCP16741;AKOS024262308;AC-25026;BS-16491;SY042638;CS-0001124;A851931;4-chloro-7-(3-chloropropoxy)-3-cyano-6-methoxyquinoline;4-Chloro-6-methoxy-7-(3-chloropropoxy)quinoline-3-carbonitrile;7-(3-Chloro-propoxy)-4-chloro-6-methoxy-quinoline-3-carbonitrile

Chemical Property of 4-Chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile

Chemical Property:

• Vapor Pressure: 2.64E-09mmHg at 25°C
• Boiling Point: 478.1oC at 760 mmHg
• PKA: 0.57±0.41(Predicted)
• Flash Point: 243oC
• PSA: 55.14000
• Density: 1.37g/cm3
• LogP: 3.77618
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 310.0275830
• Heavy Atom Count: 20
• Complexity: 360

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)Cl)OCCCCl
• Uses: 4-Chloro-7-(3-chloropropoxy)-3-cyano-6-methyloxyquinoline is a useful intermediate in the green preparation of the anti-tumor medication Bosutinib. 4-Chloro-7-(3-chloropropoxy)-3-cyano-6-methyloxyquinoline is a useful intermediate in the green preparation of the anti-tumor medication Bosutinib (B676095).

Technology Process of 4-Chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile

There total 30 articles about 4-Chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile 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: 92.4%

7-(3-Chloro-propoxy)-4-hydroxy-6-methoxy-quinoline-3-carbonitrile → 7-(3-chloro-propoxy)-4-chloro-6-methoxy-quinoline-3-carbonitrile (214470-68-5)

Guidance literature:

With trichlorophosphate; In toluene; for 2h; Reflux;

DOI:10.3390/molecules15064261

Reference yield: 77.0%

1-iodo-3-chloro-propane (6940-76-7) + 4-chloro-7-hydroxy-6-methoxyquinolin-3-carbonitrile (263149-10-6) → 7-(3-chloro-propoxy)-4-chloro-6-methoxy-quinoline-3-carbonitrile (214470-68-5)

Guidance literature:

4-chloro-7-hydroxy-6-methoxyquinolin-3-carbonitrile; With potassium carbonate; In N,N-dimethyl-formamide; for 0.5h; Inert atmosphere;

1-iodo-3-chloro-propane; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

Reference yield:

1.3-chlorobromopropane (109-70-6) + 4-chloro-7-hydroxy-6-methoxyquinolin-3-carbonitrile (263149-10-6) → 7-(3-chloro-propoxy)-4-chloro-6-methoxy-quinoline-3-carbonitrile (214470-68-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2008.10.006

upstream raw materials:

1-chloro-3-hydroxypropane

4-chloro-7-hydroxy-6-methoxyquinolin-3-carbonitrile

7-(3-chloropropoxy)-6-methoxy-4-oxo-1,4-dihydroquinoline-3-carbonitrile

4-hydroxy-3-methoxybenzoic acid methyl ester

Downstream raw materials:

7-(3-chloropropoxy)-4-[(2,4-dichlorophenyl)amino]-6-methoxy-3-quinolinecarbonitrile

7-(3-chloropropoxy)-4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-3-quinolinecarbonitrile

4-{3-chloro-4-[(1-methyl-1H-imidazole-2-yl)sulfanyl]anilino}-7-(3-chloropropoxy)-6-methoxy-3-quinolinecarbonitrile

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