Methyl quinoline-6-carboxylate

Base Information

• Chemical Name: Methyl quinoline-6-carboxylate
• CAS No.: 38896-30-9
• Molecular Formula: C11H9 N O2
• Molecular Weight: 187.198
• Hs Code.: 29334900
• European Community (EC) Number: 609-595-7
• DSSTox Substance ID: DTXSID40353108
• Nikkaji Number: J1.828.731E
• Wikidata: Q72497423
• ChEMBL ID: CHEMBL1596204
• Mol file: 38896-30-9.mol

Synonyms:methyl quinoline-6-carboxylate;38896-30-9;methyl 6-quinolinecarboxylate;6-Quinolinecarboxylic Acid Methyl Ester;6-Quinolinecarboxylic acid, methyl ester;MFCD00956766;Quinoline-6-carboxylic acid methyl ester;methyl 6-quinoline carboxylate;N1E;Maybridge1_005415;MLS000084874;SCHEMBL265015;CHEMBL1596204;HMS556O03;XSRWQTDEIOHXSL-UHFFFAOYSA-;AMY2433;DTXSID40353108;HMS2360C12;CCG-42627;STK503901;AKOS005171599;AC-2848;CS-W002712;DS-0938;PS-4960;SB67472;SDCCGMLS-0004140.P002;SMR000019220;SY003113;BB 0253703;FT-0628802;M1687;EN300-74474;A26235;AJ-333/09216064;SR-01000403901;SR-01000403901-1;SR-01000403901-3;W-202610;Z902563628

Chemical Property of Methyl quinoline-6-carboxylate

Chemical Property:

• Vapor Pressure: 0.000447mmHg at 25°C
• Melting Point: 88 °C
• Boiling Point: 315.1°Cat760mmHg
• PKA: 4.06±0.10(Predicted)
• Flash Point: 144.4°C
• PSA: 39.19000
• Density: 1.21g/cm³
• LogP: 2.02140
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.3
• 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:

99% ^*data from raw suppliers

MethylQuinoline-6-carboxylate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC2=C(C=C1)N=CC=C2

Technology Process of Methyl quinoline-6-carboxylate

There total 14 articles about Methyl quinoline-6-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: 99.0%

methanol (67-56-1) + Quinoline-6-carboxylic acid (10349-57-2) → 6-(methoxycarbonyl)quinoline (38896-30-9)

Guidance literature:

With toluene-4-sulfonic acid; for 12h; Reflux;

DOI:10.3987/COM-11-12232

Reference yield: 98.0%

1-oxy-quinoline-6-carboxylic acid methyl ester (358368-09-9) → 6-(methoxycarbonyl)quinoline (38896-30-9)

Guidance literature:

With Eosin Y; di-tert-butyl 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylate; In acetonitrile; at 20 ℃; for 1h; chemoselective reaction; Inert atmosphere; Irradiation;

DOI:10.1039/d1ob00260k

Reference yield: 97.0%

methyl 1,2,3,4-tetrahydroquinoline-6-carboxylate (177478-49-8) → 6-(methoxycarbonyl)quinoline (38896-30-9)

Guidance literature:

With rose bengal; oxygen; In N,N-dimethyl acetamide; at 20 ℃; for 24h; Irradiation;

DOI:10.1002/chem.201703642

upstream raw materials:

diazomethane

Quinoline-6-carboxylic acid

methanol

tripropanolamine

Downstream raw materials:

quinoline-6-carbonitrile

quinoline-6-carboxamide

4-chloroquinoline-6-carboxylic acid

4-hydroxyquinoline-6-carboxylic acid