7-Methyl-2-(trifluoromethyl)quinoline

Base Information

• Chemical Name: 7-Methyl-2-(trifluoromethyl)quinoline
• CAS No.: 176722-74-0
• Molecular Formula: C₁₁H₈F₃N
• Molecular Weight: 211.186
• Hs Code.: 2933499090
• DSSTox Substance ID: DTXSID40402706
• Nikkaji Number: J1.078.245G
• Wikidata: Q82206171
• Mol file: 176722-74-0.mol

Synonyms:7-methyl-2-(trifluoromethyl)quinoline;176722-74-0;7-METHYL-2-TRIFLUOROMETHYLQUINOLINE;DTXSID40402706;PHLJKUAHHBRYOG-UHFFFAOYSA-N

Chemical Property of 7-Methyl-2-(trifluoromethyl)quinoline

Chemical Property:

• PSA: 12.89000
• LogP: 3.56200
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 211.06088375
• Heavy Atom Count: 15
• Complexity: 226

Purity/Quality:

98.5% ^*data from raw suppliers

7-METHYL-2-TRIFLUOROMETHYLQUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C=CC(=N2)C(F)(F)F

Technology Process of 7-Methyl-2-(trifluoromethyl)quinoline

There total 9 articles about 7-Methyl-2-(trifluoromethyl)quinoline 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: 89.0%

1-iodo-3,3,4,4,4-pentafluorobutyl acetate + 1-amino-3-methylbenzene (108-44-1) → 7-methyl-2-(trifluoromethyl)quinoline (176722-74-0)

Guidance literature:

In dichloromethane; for 12h; Heating;

DOI:10.1021/jo050586d

Reference yield: 64.0%

1-trifluoromethyl-3-(3-methylphenylamino)prop-2-en-1-one (512778-46-0) → 7-methyl-2-(trifluoromethyl)quinoline (176722-74-0)

Guidance literature:

With trichlorophosphate; In n-heptane; at 20 - 100 ℃; for 6h;

DOI:10.1016/0040-4020(96)00168-8

Reference yield: 60.0%

7-methylquinoline (612-60-2) + (trifluoromethyl)trimethylsilane (81290-20-2) → 7-methyl-2-(trifluoromethyl)quinoline (176722-74-0)

Guidance literature:

7-methylquinoline; With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; potassium hydrogen difluoride; In 1,4-dioxane; at 25 ℃; for 0.00833333h;

(trifluoromethyl)trimethylsilane; With trifluoroacetic acid; In 1,4-dioxane; at 25 ℃; for 24h;

With [bis(acetoxy)iodo]benzene; In 1,4-dioxane; at 25 ℃; for 2h;

DOI:10.1021/acs.orglett.8b00339

upstream raw materials:

1-trifluoromethyl-3-(3-methylphenylamino)prop-2-en-1-one

(E)-4-(dimethylamino)-1,1,1-trifluorobut-3-en-2-one

1-amino-3-methylbenzene

7-methylquinoline