7-Fluoro-2-methylquinoline

Base Information

• Chemical Name: 7-Fluoro-2-methylquinoline
• CAS No.: 1128-74-1
• Molecular Formula: C10H8 F N
• Molecular Weight: 161.179
• Hs Code.: 2933499090
• European Community (EC) Number: 625-174-0
• DSSTox Substance ID: DTXSID80381263
• Nikkaji Number: J2.646.270C
• Wikidata: Q72474986
• Mol file: 1128-74-1.mol

Synonyms:7-Fluoro-2-methylquinoline;1128-74-1;7-Fluoroquinaldine;Quinoline, 7-fluoro-2-methyl-;MFCD02683029;7-fluoro-2-methyl-quinoline;SCHEMBL1193454;AYSKNDXTWPNRKG-UHFFFAOYSA-;DTXSID80381263;AYSKNDXTWPNRKG-UHFFFAOYSA-N;7-Fluoro-2-methylquinoline, 97%;AKOS015853507;AB12293;PS-6328;SY018300;F0519;FT-0633382;D90677;A802679;J-002856;InChI=1/C10H8FN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2-6H,1H3

Chemical Property of 7-Fluoro-2-methylquinoline

Chemical Property:

• Vapor Pressure: 0.0985mmHg at 25°C
• Melting Point: 47-51 °C(lit.)
• Boiling Point: 120 °C / 15mmHg
• PKA: 4?+-.0.50(Predicted)
• Flash Point: 124°C
• PSA: 12.89000
• Density: 1.379g/cm³
• LogP: 2.68230
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 161.064077422
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98%,99%, ^*data from raw suppliers

7-Fluoro-2-methylquinoline ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=NC2=C(C=C1)C=CC(=C2)F

Technology Process of 7-Fluoro-2-methylquinoline

There total 6 articles about 7-Fluoro-2-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: 82.0%

7-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline (560085-09-8) → 7-fluoro-2-methyl-quinoline (1128-74-1)

Guidance literature:

With hexagonal boron carbon nitride; In water; at 25 ℃; for 12h; Schlenk technique; Inert atmosphere; Irradiation;

DOI:10.1002/anie.201800319

Reference yield:

meta-fluoroaniline (372-19-0) + ethyl vinyl ether (109-92-2,25104-37-4) → 7-fluoro-2-methyl-quinoline (1128-74-1) + N-ethyl-3-fluoroaniline (2707-62-2)

Guidance literature:

With palladium on activated charcoal; palladium dichloride; In acetonitrile; at 80 ℃; for 24h;

DOI:10.1002/anie.201102076

Reference yield:

2-methyl-6-(trifluoromethyl)-quinoline (66023-21-0) + meta-fluoroaniline (372-19-0) → 7-fluoro-2-methyl-quinoline (1128-74-1)

Guidance literature:

upstream raw materials:

trans-Crotonaldehyde

meta-fluoroaniline

2-methyl-6-(trifluoromethyl)-quinoline

ethyl vinyl ether

Refernces

• 1、 Deng, Guozhong,Wan, Nanwei,Qin, Lei,Cui, Baodong,An, Miao,Han, Wenyong,Chen, Yongzheng. "Deracemization of Phenyl-Substituted 2-Methyl-1,2,3,4-Tetrahydroquinolines by a Recombinant Monoamine Oxidase from Pseudomonas monteilii ZMU-T01". . p. 2374 - 2377. Retrieved 2018/04/19.
• 2、 Matsubara, Yoshio,Hirakawa, Saori,Yamaguchi, Yoshihiro,Yoshida, Zen-Ichi. "Assembly of substituted 2-alkylquinolines by a sequential palladium-catalyzed Ci-N and Ci-C bond formation". experimental part. p. 7670 - 7673. Retrieved 2011/10/05.