2-Chloro-6,7-dimethoxy-3-quinolinecarbonitrile

Base Information

• Chemical Name: 2-Chloro-6,7-dimethoxy-3-quinolinecarbonitrile
• CAS No.: 93299-56-0
• Molecular Formula: C₁₂H₉ClN₂O₂
• Molecular Weight: 248.669
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID10538223
• Wikidata: Q82413493
• Mol file: 93299-56-0.mol

Synonyms:2-Chloro-6,7-dimethoxy-3-quinolinecarbonitrile;93299-56-0;2-Chloro-6,7-dimethoxyquinoline-3-carbonitrile;SCHEMBL10333643;DTXSID10538223;GETLLXMNDLMIJO-UHFFFAOYSA-N;MFCD09895722;AKOS015946053;SB69122;DS-14617;CS-0330204

Chemical Property of 2-Chloro-6,7-dimethoxy-3-quinolinecarbonitrile

Chemical Property:

• Melting Point: 2200.5 °C
• Boiling Point: 414.3±40.0 °C(Predicted)
• PKA: -2.60±0.50(Predicted)
• PSA: 55.14000
• Density: 1.36±0.1 g/cm3(Predicted)
• LogP: 2.77708
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 248.0352552
• Heavy Atom Count: 17
• Complexity: 317

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-6,7-dimethoxy-3-quinolinecarbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=CC(=C(N=C2C=C1OC)Cl)C#N

Technology Process of 2-Chloro-6,7-dimethoxy-3-quinolinecarbonitrile

There total 10 articles about 2-Chloro-6,7-dimethoxy-3-quinolinecarbonitrile 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: 100.0%

2-chloro-6,7-dimethoxy-quinoline-3-aldoxime (95460-42-7) → 2-chloro-6,7-dimethoxy-3-quinolinecarbonitrile (93299-56-0)

Guidance literature:

With thionyl chloride; In benzene; for 3h; Heating;

Reference yield: 30.0%

methanol (67-56-1) + 2-chloro-6,7-dimethoxy-quinoline-3-aldoxime (95460-42-7) → 6,7-dimethoxyisoxazolo<5,4-b>quinoline (93299-58-2) + 2-chloro-6,7-dimethoxyquinoline-3-aldoxime monomethyl ether (93347-84-3) + 2-chloro-6,7-dimethoxyquinoline-3-aldoxime-(2,3-epoxy)-propyl ether (93299-57-1) + 2-chloro-6,7-dimethoxy-3-quinolinecarbonitrile (93299-56-0)

Guidance literature:

With potassium carbonate; epichlorohydrin; for 3h; Further byproducts given; Heating;

Reference yield: 10.0%

2-chloro-6,7-dimethoxy-quinoline-3-aldoxime (95460-42-7) → 6,7-dimethoxyisoxazolo<5,4-b>quinoline (93299-58-2) + 2-chloro-6,7-dimethoxyquinoline-3-aldoxime monomethyl ether (93347-84-3) + 2-chloro-6,7-dimethoxyquinoline-3-aldoxime-(2,3-epoxy)-propyl ether (93299-57-1) + 2-chloro-6,7-dimethoxy-3-quinolinecarbonitrile (93299-56-0)

Guidance literature:

With potassium carbonate; epichlorohydrin; In methanol; for 3h; Further byproducts given; Heating;

upstream raw materials:

methanol

2-chloro-6,7-dimethoxy-quinoline-3-aldoxime

epichlorohydrin

6,7-dimethoxyquinoline-3-carbonitrile

Downstream raw materials:

(2-Chloro-6,7-dimethoxy-quinolin-3-yl)-phenyl-methanone

2-Chloro-6,7-dimethoxy-4-phenyl-quinoline-3-carboxylic acid amide

2-Chloro-6,7-dimethoxy-4-phenyl-1,4-dihydro-quinoline-3-carbonitrile

C-(2-Chloro-6,7-dimethoxy-quinolin-3-yl)-C,C-diphenyl-methylamine