4,5-Dimethyl-2-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 4,5-Dimethyl-2-(trifluoromethyl)pyridine
• CAS No.: 100696-00-2
• Molecular Formula: C₈H₈F₃N
• Molecular Weight: 175.153
• DSSTox Substance ID: DTXSID401274020
• Nikkaji Number: J3.650.610E
• Mol file: 100696-00-2.mol

Synonyms:4,5-Dimethyl-2-(trifluoromethyl)pyridine;100696-00-2;4,5-dimethyl-2-trifluoromethylpyridine;SCHEMBL14183073;FMFJYDNHFUUBBE-UHFFFAOYSA-N;DTXSID401274020;TQ0035

Chemical Property of 4,5-Dimethyl-2-(trifluoromethyl)pyridine

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 175.06088375
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

4,5-dimethyl-2-(trifluoromethyl)-Pyridine 97.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NC=C1C)C(F)(F)F

Technology Process of 4,5-Dimethyl-2-(trifluoromethyl)pyridine

There total 3 articles about 4,5-Dimethyl-2-(trifluoromethyl)pyridine 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: 38.0%

Trifluoroacetohydroximoyl bromide etherate (14533-30-3) + 2,3-dimethyl-buta-1,3-diene (513-81-5) → 2-(trifluoromethyl)-4,5-dimethylpyridine (100696-00-2) + (E)-1,1,1-Trifluoro-4,5-dimethyl-hexa-3,5-dien-2-one oxime (100695-99-6) + 5-Isopropenyl-5-methyl-3-trifluoromethyl-4,5-dihydro-isoxazole (100695-98-5)

Guidance literature:

With triethylamine; In diethyl ether; for 4h; Ambient temperature;

DOI:10.1246/bcsj.58.2061

Reference yield: 32.0%

2,5-bis(trifluoromethyl)-1,3,4-oxadiazole (1868-48-0) + 2,3-dimethyl-buta-1,3-diene (513-81-5) → 4-(trifluoromethyl)-2-ethoxycarbonyl-1,6-dimethyl-3-oxatricyclo[2.2.1.02,6]heptane + 2,2,2-trifluoroacetamide (354-38-1) + 2-(trifluoromethyl)-4,5-dimethylpyridine (100696-00-2)

Guidance literature:

at 150 ℃; for 18h;

DOI:10.1016/j.jfluchem.2007.02.020

Reference yield: 27.0%

2-trifluoromethyl-5-ethoxycarbonyl-1,3,4-oxadiazole (944903-98-4) + 2,3-dimethyl-buta-1,3-diene (513-81-5) → 4-(trifluoromethyl)-2-ethoxycarbonyl-1,6-dimethyl-3-oxatricyclo[2.2.1.02,6]-heptane + 2,2,2-trifluoroacetamide (354-38-1) + 2-(trifluoromethyl)-4,5-dimethylpyridine (100696-00-2)

Guidance literature:

at 150 ℃; for 14h;

DOI:10.1016/j.jfluchem.2007.02.020

upstream raw materials:

Trifluoroacetohydroximoyl bromide etherate

2,3-dimethyl-buta-1,3-diene

2-trifluoromethyl-5-ethoxycarbonyl-1,3,4-oxadiazole

2,5-bis(trifluoromethyl)-1,3,4-oxadiazole