(5-(Trifluoromethyl)pyridin-3-yl)methanol

Base Information

• Chemical Name: (5-(Trifluoromethyl)pyridin-3-yl)methanol
• CAS No.: 131747-59-6
• Molecular Formula: C₇H₆F₃NO
• Molecular Weight: 177.126
• European Community (EC) Number: 823-521-2
• ChEMBL ID: CHEMBL4579092
• DSSTox Substance ID: DTXSID40563705
• Wikidata: Q82448186
• Mol file: 131747-59-6.mol

Synonyms:131747-59-6;(5-(Trifluoromethyl)pyridin-3-yl)methanol;(5-TRIFLUOROMETHYL-PYRIDIN-3-YL)-METHANOL;[5-(trifluoromethyl)pyridin-3-yl]methanol;MFCD11100744;3-(trifluoromethyl)pyridine-5-methanol;3-Pyridinemethanol, 5-(trifluoromethyl)-;SCHEMBL7547420;CHEMBL4579092;DTXSID40563705;AKOS006309230;5-(Trifluoromethyl)pyridine-3-methanol;SB53748;AC-29122;SY141898;CS-0210724;EN300-106394;Z1198311141

Chemical Property of (5-(Trifluoromethyl)pyridin-3-yl)methanol

Chemical Property:

• Refractive Index: 1.462
• Boiling Point: 223.8±35.0 °C(Predicted)
• PKA: 13.36±0.10(Predicted)
• PSA: 33.12000
• Density: 1.362±0.06 g/cm3(Predicted)
• LogP: 1.59270
• Storage Temp.: 2-8°C
• 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:

97% ^*data from raw suppliers

(5-Trifluoromethyl-pyridin-3-yl)-methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC=C1C(F)(F)F)CO

Technology Process of (5-(Trifluoromethyl)pyridin-3-yl)methanol

There total 3 articles about (5-(Trifluoromethyl)pyridin-3-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: 78.1%

5-(trifluoromethyl)pyridine-3-carboxylic acid (131747-40-5) → (5-(trifluoromethyl)pyridin-3-yl)methanol (131747-59-6)

Guidance literature:

With borane-THF; In tetrahydrofuran; at 20 - 25 ℃; for 5h;

Reference yield: 62.0%

ethyl [5-(trifluoromethyl)pyridin-3-yl]carbonyl carbonate → (5-(trifluoromethyl)pyridin-3-yl)methanol (131747-59-6)

Guidance literature:

With methanol; sodium tetrahydroborate; In tetrahydrofuran; at -78 - 0 ℃;

Reference yield:

3-chloro-5-(trifluoromethyl)pyridine (85148-26-1) → (5-(trifluoromethyl)pyridin-3-yl)methanol (131747-59-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 2) KMnO₄ / 1) Pd(PPh₃)4 / 1) dioxane, hexane, reflux, 2) H₂O, reflux

2: 1) NEt₃, ethyl chloroformate, 2) LiAlH₄ / 1) benzene, rt, 1 h, 2) THF, -78 deg C, 30 min

With potassium permanganate; lithium aluminium tetrahydride; chloroformic acid ethyl ester; triethylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾;

DOI:10.1248/cpb.38.2446

upstream raw materials:

5-(trifluoromethyl)pyridine-3-carboxylic acid

3-chloro-5-(trifluoromethyl)pyridine

Downstream raw materials:

5-(trifluoromethyl)nicotinaldehyde

3-(bromomethyl)-5-(trifluoromethyl)pyridine

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

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