Methyl quinoline-7-carboxylate

Base Information

• Chemical Name: Methyl quinoline-7-carboxylate
• CAS No.: 51552-68-2
• Molecular Formula: C₁₁H₉NO₂
• Molecular Weight: 187.198
• Hs Code.: 2933499090
• European Community (EC) Number: 855-328-4
• DSSTox Substance ID: DTXSID30502345
• Wikidata: Q82355282
• Mol file: 51552-68-2.mol

Synonyms:Methyl quinoline-7-carboxylate;51552-68-2;Quinoline-7-carboxylic acid methyl ester;7-Quinolinecarboxylic acid, methyl ester;Methylquinoline-7-carboxylate;SCHEMBL2671065;DTXSID30502345;ZTZCGCCFJZVRTO-UHFFFAOYSA-N;BCA55268;MFCD18417763;AKOS016844858;CS-W004193;SB37441;AS-60118;EN300-331629;A871242;Z1255506267

Chemical Property of Methyl quinoline-7-carboxylate

Chemical Property:

• Boiling Point: 315.1±15.0 °C(Predicted)
• PKA: 2.95±0.14(Predicted)
• PSA: 39.19000
• Density: 1.210±0.06 g/cm3(Predicted)
• LogP: 2.02140
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 187.063328530
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

97% ^*data from raw suppliers

METHYLQUINOLINE-7-CARBOXYLATE 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(C=CC=N2)C=C1

Technology Process of Methyl quinoline-7-carboxylate

There total 6 articles about Methyl quinoline-7-carboxylate 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%

methanol (67-56-1) + 7‐(trifluoromethyl)quinoline (325-14-4) → quinoline-7-carboxylic acid methyl ester (51552-68-2)

Guidance literature:

7‐(trifluoromethyl)quinoline; With sulfuric acid; sulfur trioxide; at 150 ℃; for 3h;

methanol; at 20 - 80 ℃;

Reference yield:

methanol (67-56-1) + quinoline-7-carboxylic acid (1078-30-4) → quinoline-7-carboxylic acid methyl ester (51552-68-2)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; at 20 - 50 ℃; for 44h;

Reference yield:

methanol (67-56-1) + 7-bromoquinoline (4965-36-0) + carbon monoxide (201230-82-2) → quinoline-7-carboxylic acid methyl ester (51552-68-2)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; triethylamine; at 70 ℃; for 12h; under 2585.81 Torr;

upstream raw materials:

diazomethane

quinoline-7-carboxylic acid

methanol

7‐(trifluoromethyl)quinoline

Downstream raw materials:

7-bromomethyl-quinoline hydrobromide

4‐chloroquinoline‐7‐carboxylic acid

4-hydroxyquinoline-7-carboxylic acid

7-Methyloxycarbonyl-4-chloroquinoline

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