N-Methyl-2-(trifluoromethyl)-4-pyridinemethanamine

Base Information

• Chemical Name: N-Methyl-2-(trifluoromethyl)-4-pyridinemethanamine
• CAS No.: 165558-80-5
• Molecular Formula: C₈H₉F₃N₂
• Molecular Weight: 190.168
• DSSTox Substance ID: DTXSID50437468
• Wikidata: Q82252961
• Mol file: 165558-80-5.mol

Synonyms:165558-80-5;N-Methyl-2-(trifluoromethyl)-4-pyridinemethanamine;N-methyl-1-[2-(trifluoromethyl)pyridin-4-yl]methanamine;N-METHYL-1-(2-(TRIFLUOROMETHYL)PYRIDIN-4-YL)METHANAMINE;4-PYRIDINEMETHANAMINE, N-METHYL-2-(TRIFLUOROMETHYL)-;SCHEMBL9054620;DTXSID50437468;MMRPRAIHDBXPHW-UHFFFAOYSA-N;AKOS015909535;AB67212;FT-0759456;E84693

Chemical Property of N-Methyl-2-(trifluoromethyl)-4-pyridinemethanamine

Chemical Property:

• Vapor Pressure: 0.509mmHg at 25°C
• Boiling Point: 191.637oC at 760 mmHg
• Flash Point: 69.7oC
• PSA: 24.92000
• Density: 1.205g/cm3
• LogP: 2.21070
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 190.07178278
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

98%min ^*data from raw suppliers

N-Methyl-2-(trifluoromethyl)-4-pyridinemethanamine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNCC1=CC(=NC=C1)C(F)(F)F

Technology Process of N-Methyl-2-(trifluoromethyl)-4-pyridinemethanamine

There total 3 articles about N-Methyl-2-(trifluoromethyl)-4-pyridinemethanamine 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%

→ methyl<<2-(trifluoromethyl)pyridin-4-yl>methyl>amine (165558-80-5)

Guidance literature:

Reference yield:

<2-(trifluoromethyl)pyridin-4-yl>methanol (131747-61-0) → methyl<<2-(trifluoromethyl)pyridin-4-yl>methyl>amine (165558-80-5)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / CH₂Cl₂ / 0.17 h / 0 °C

2: tetrahydrofuran; H₂O / 0.17 h / Ambient temperature

With thionyl chloride; In tetrahydrofuran; dichloromethane; water;

DOI:10.1021/jm00011a009

Reference yield:

4-(chloromethyl)-2-(trifluoromethyl)pyridine (1027545-48-7) + methylamine (74-89-5) → methyl<<2-(trifluoromethyl)pyridin-4-yl>methyl>amine (165558-80-5)

Guidance literature:

In tetrahydrofuran; water; for 0.166667h; Yield given; Ambient temperature;

DOI:10.1021/jm00011a009

upstream raw materials:

4-(chloromethyl)-2-(trifluoromethyl)pyridine

methylamine

<2-(trifluoromethyl)pyridin-4-yl>methanol

Refernces

• 1、 Varney, Michael D.,Palmer, Cindy L.,Deal, Judith G.,Webber, Stephanie,Welsh, Katherine M.,et al.. "Synthesis and Biological Evaluation of Novel 2,6-Diaminobenzindole Inhibitors of Thymidylate Synthase Using the Protein Structure as a Guide". . p. 1892 - 1903. Retrieved 2007/10/02.