6-Methyl-4-(trifluoromethyl)nicotinonitrile

Base Information

• Chemical Name: 6-Methyl-4-(trifluoromethyl)nicotinonitrile
• CAS No.: 13600-49-2
• Molecular Formula: C8H5F3N2
• Molecular Weight: 186.13
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40381724
• Wikidata: Q82172736
• Mol file: 13600-49-2.mol

Synonyms:6-methyl-4-(trifluoromethyl)nicotinonitrile;13600-49-2;6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile;6-Methyl-4-trifluoromethyl-nicotinonitrile;Methylcarbonyl-L-t-Leucine;SCHEMBL14932518;DTXSID40381724;AMY18750;MFCD01570786;AKOS006230212;SB33023;s11026;DS-16164;CS-0038478;FT-0743396

Chemical Property of 6-Methyl-4-(trifluoromethyl)nicotinonitrile

Chemical Property:

• Vapor Pressure: 0.0227mmHg at 25°C
• Refractive Index: 1.46
• Boiling Point: 57 °C
• Flash Point: 104.8°C
• PSA: 36.68000
• Density: 1.31g/cm³
• LogP: 2.28048
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 186.04048265
• Heavy Atom Count: 13
• Complexity: 227

Purity/Quality:

98%min ^*data from raw suppliers

6-Methyl-4-(trifluoromethyl)nicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=N1)C#N)C(F)(F)F

Technology Process of 6-Methyl-4-(trifluoromethyl)nicotinonitrile

There total 1 articles about 6-Methyl-4-(trifluoromethyl)nicotinonitrile 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:

→ 6-methyl-4-(trifluoromethyl)nicotinonitrile (13600-49-2)

Guidance literature:

6-Methyl-2-chlor-4-trifluormethyl-3-cyan-pyridin, Triethylamin, Me., H2;

DOI:10.1021/jm00314a004

Reference yield:

6-methyl-4-(trifluoromethyl)nicotinonitrile (13600-49-2) → 5-((4-((1R,4S)-4-Hydroxy-3,3-dimethylcyclohexylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)methyl)-2-methyl-4-(trifluoromethyl)pyridine 1-oxide

Guidance literature:

Multi-step reaction with 5 steps

1: ammonium hydroxide; hydrogen / methanol / 48 h / 20 °C

2: N-ethyl-N,N-diisopropylamine / dichloromethane / 1 h / 20 °C

3: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 12 h / 20 °C

4: hydrogenchloride / methanol; 1,4-dioxane / 24 h / 20 °C

5: 1,4-dioxane / 14 h / 110 °C

With hydrogenchloride; ammonium hydroxide; hydrogen; N-ethyl-N,N-diisopropylamine; 3-chloro-benzenecarboperoxoic acid; In 1,4-dioxane; methanol; dichloromethane;

Refernces