(2-(Trifluoromethyl)pyridin-4-yl)methanol

Base Information

• Chemical Name: (2-(Trifluoromethyl)pyridin-4-yl)methanol
• CAS No.: 131747-61-0
• Molecular Formula: C7H6F3NO
• Molecular Weight: 177.126
• Hs Code.: 2933399990
• European Community (EC) Number: 695-969-5
• DSSTox Substance ID: DTXSID30438852
• Wikidata: Q82254689
• Mol file: 131747-61-0.mol

Synonyms:131747-61-0;(2-(trifluoromethyl)pyridin-4-yl)methanol;(2-Trifluoromethyl-pyridin-4-yl)-methanol;[2-(trifluoromethyl)pyridin-4-yl]methanol;2-(Trifluoromethyl)-4-pyridinemethanol;2-(Trifluoromethyl)pyridine-4-methanol;4-(Hydroxymethyl)-2-(trifluoromethyl)pyridine;SCHEMBL9057494;DTXSID30438852;AMY38891;MFCD11100737;AKOS006308956;CS-W006203;DS-2203;FS-3606;SB32818;4-Pyridinemethanol, 2-(trifluoromethyl)-;AC-29140;[2-(trifluoromethyl)-pyridin-4-yl]methanol;FT-0715238;2-(Trifluoromethyl)-4-(hydroxymethyl)pyridine;EN300-106622;F11500;A888378;3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-PENTADECAFLUORONONANOICACID

Chemical Property of (2-(Trifluoromethyl)pyridin-4-yl)methanol

Chemical Property:

• Vapor Pressure: 0.102mmHg at 25°C
• Refractive Index: 1.462
• Boiling Point: 212.6 °C at 760 mmHg
• Flash Point: 82.4 °C
• PSA: 33.12000
• Density: 1.362 g/cm³
• LogP: 1.59270
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 177.04014830
• Heavy Atom Count: 12
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

4-(Hydroxymethyl)-2-(trifluoromethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(C=C1CO)C(F)(F)F

Technology Process of (2-(Trifluoromethyl)pyridin-4-yl)methanol

There total 6 articles about (2-(Trifluoromethyl)pyridin-4-yl)methanol 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: 88.0%

2-trifluoromethyl-isonicotinic acid methyl ester (588702-68-5) → <2-(trifluoromethyl)pyridin-4-yl>methanol (131747-61-0)

Guidance literature:

With methanol; sodium tetrahydroborate; at 30 ℃; for 2h; Cooling with ice;

Reference yield: 71.0%

C10H8F3NO4 → <2-(trifluoromethyl)pyridin-4-yl>methanol (131747-61-0)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere; Cooling with acetone-dry ice;

DOI:10.1016/j.bmcl.2019.126681

Reference yield: 60.0%

2-(trifluoromethyl)-4-pyridinecarboxylic acid (131747-41-6) → <2-(trifluoromethyl)pyridin-4-yl>methanol (131747-61-0)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 0 - 75 ℃; for 2h; Inert atmosphere;

upstream raw materials:

2-(trifluoromethyl)-4-pyridinecarboxylic acid

4-chloro-2-trifluoromethylpyridine

2-trifluoromethyl-isonicotinic acid methyl ester

4-bromo-2-(trifluoromethyl)pyridine

Downstream raw materials:

2-(trifluoromethyl)pyridine-4-carbaldehyde

2,6-Dimethyl-4-(2-trifluoromethyl-4-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-β-(N-benzyl-N-methylamino)ethyl ester 5-methyl ester

2-trifluoromethyl-4-(aminomethyl)pyridine

(2-trifluoromethylpyridin-4-yl)methyl bromide

Refernces

• 1、 Porter, Jacob D.,Vivas, Oscar,Weaver, C. David,Alsafran, Abdulmohsen,DiMilo, Elliot,Arnold, Leggy A.,Dickson, Eamonn J.,Dockendorff, Chris. "An anthrone-based Kv7.2/7.3 channel blocker with improved properties for the investigation of psychiatric and neurodegenerative disorders". supporting information. . Retrieved 2019/11/11.
• 2、 -. "HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME". Paragraph 0775; 0776; 0777; 0778. . Retrieved 2016/12/01.