3-Methylquinoline

Base Information

• Chemical Name: 3-Methylquinoline
• CAS No.: 612-58-8
• Molecular Formula: C10H9N
• Molecular Weight: 143.188
• Hs Code.: 29334900
• European Community (EC) Number: 210-315-7
• NSC Number: 109149
• UNII: 1YC9RBW2G0
• DSSTox Substance ID: DTXSID60210108
• Nikkaji Number: J94.919A
• Wikidata: Q27109284
• Metabolomics Workbench ID: 53744
• ChEMBL ID: CHEMBL195661
• Mol file: 612-58-8.mol

Synonyms:3-methylquinoline

Chemical Property of 3-Methylquinoline

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 0.0206mmHg at 25°C
• Melting Point: 15 °C
• Refractive Index: n20/D 1.615(lit.)
• Boiling Point: 259.8 °C at 760 mmHg
• PKA: 5.17±0.11(Predicted)
• Flash Point: 104.9 °C
• PSA: 12.89000
• Density: 1.076 g/cm³
• LogP: 2.54320
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 143.073499291
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

3-Methylquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38-40-68-22
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Quinolines
• Canonical SMILES: CC1=CC2=CC=CC=C2N=C1
• Uses: It can be degraded efficiently by the QL-degrading bacteria. 3-Methylquinoline may be used as carbon, nitrogen and energy supplement to investigate its degradation by Comamonas testosteroni 63. It may be used as ligand in the preparation of tetra-μ-benzoato-bis[(3-methylquinoline)copper(II)], a paddle-wheel-type dinuclear complex.

Technology Process of 3-Methylquinoline

There total 63 articles about 3-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: 99.0%

3-methyl-1,2,3,4-tetrahydroquinoline (20668-20-6) → 3-methylquinoline (612-58-8)

Guidance literature:

With tris(bipyridine)ruthenium(II) dichloride hexahydrate; chloropyridinecobaloxime(III); In ethanol; at 30 ℃; for 6h; Schlenk technique; Inert atmosphere; Irradiation;

DOI:10.1002/anie.201612486

Reference yield: 94.0%

3-methylquinoline N-oxide (1873-55-8) → 3-methylquinoline (612-58-8)

Guidance literature:

With styrene; tris(bipyridine)ruthenium(II) dichloride hexahydrate; hydrazine hydrate; In dimethyl sulfoxide; at 20 ℃; for 9h; chemoselective reaction; Inert atmosphere; Irradiation;

DOI:10.1021/acs.orglett.8b03446

Reference yield: 92.0%

(E)-2-((2-methyl-3-oxobut-1-en-1-yl)amino)benzaldehyde → 3-methylquinoline (612-58-8)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1002/chem.201905283

upstream raw materials:

oxirane

aniline

acetic acid

N-methyl-N-phenylpropanamide

Downstream raw materials:

3-methyl-5,6,7,8-tetrahydroquinoline

3-methyl-1,2,3,4-tetrahydroquinoline

3-(bromomethyl)quinoline

1,2,3,4-tetrahydro-3-methyl-8-quinolinesulfonic acid

Refernces

• 1、 Liu, Shuyang,Tian, Miao,Bu, Xiubin,Tian, Hua,Yang, Xiaobo. "Covalent Organic Frameworks toward Diverse Photocatalytic Aerobic Oxidations". supporting information. p. 7738 - 7744. Retrieved 2021/05/07.
• 2、 Manna, Srimanta,Kong, Wei-Jun,B?ckvall, Jan-E.. "Iron(II)-Catalyzed Aerobic Biomimetic Oxidation of N-Heterocycles". supporting information. p. 13725 - 13729. Retrieved 2021/09/08.