3-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine

Base Information

• Chemical Name: 3-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine
• CAS No.: 76041-71-9
• Molecular Formula: C6H3ClF3NO
• Molecular Weight: 197.544
• Hs Code.: 29333990
• European Community (EC) Number: 625-371-1
• DSSTox Substance ID: DTXSID901000628
• Nikkaji Number: J752.351C
• Wikidata: Q72460445
• Mol file: 76041-71-9.mol

Synonyms:3-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine;76041-71-9;3-chloro-5-(trifluoromethyl)pyridin-2-ol;79623-37-3;3-Chloro-5-(trifluoromethyl)-2-pyridinol;2-Hydroxy-3-chloro-5-(trifluoromethyl)pyridine;3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;3-chloro-5-(trifluoromethyl)-1,2-dihydropyridin-2-one;2(1H)-Pyridinone, 3-chloro-5-(trifluoromethyl)-;MFCD00153095;3-Chloro-2-hydroxy-5-trifluoromethylpyridine;Maybridge1_002255;SCHEMBL1971207;3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2(1H)-ONE;HMS547O11;AJPOOWWMZOPUCG-UHFFFAOYSA-M;JJTYTWIYBRYXEI-UHFFFAOYSA-N;DTXSID901000628;HMS1782J20;AMY10451;BBL100930;CCG-44475;STL554724;AKOS001043899;AKOS005256216;3-Chloro-5-trifluoromethyl-2-pyridone;AB04077;AM62725;SB52304;3-chloro-5-trifluoromethylpyridin-2-ol;AC-24946;AC-29100;CS-10645;SY019209;3-Chloro-5-(trifluoromethyl) pyridin-2-ol;A9919;CS-0036307;FT-0615344;FT-0652896;EN300-17214;4P-706;D86740;3-Chloro-5-(trifluoromethyl)-2-pyridinol, 98%;A838593;Q-101258;SR-01000634309-1;Z56899112;2(3H)-PYRIDINONE, 3-CHLORO-5-(TRIFLUOROMETHYL)-

Chemical Property of 3-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine

Chemical Property:

• Vapor Pressure: 5.33mmHg at 25°C
• Melting Point: 159-161 °C(lit.)
• Refractive Index: 1.527
• Boiling Point: 234.6 °C at 760 mmHg
• PKA: 8.06±0.10(Predicted)
• Flash Point: 95.7 °C
• PSA: 33.12000
• Density: 1.53 g/cm³
• LogP: 2.45940
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 196.9855259
• Heavy Atom Count: 12
• Complexity: 279

Purity/Quality:

98% ^*data from raw suppliers

3-Chloro-5-(trifluoromethyl)pyridin-2(3H)-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 25-36/37/38
• Safety Statements: 26-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)NC=C1C(F)(F)F)Cl
• Uses: 3-Chloro-5-(trifluoromethyl)pyridin-2(3H)-one is a useful research chemical.

Technology Process of 3-Chloro-2-hydroxy-5-(trifluoromethyl)pyridine

There total 4 articles about 3-Chloro-2-hydroxy-5-(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: 92.0%

2-hydroxy-5-(trifluoromethyl)pyridine (33252-63-0) → 3-chloro-5-(trifluoromethyl)-2-hydroxypyridine (76041-71-9)

Guidance literature:

With N-chloro-succinimide; In 1-methyl-pyrrolidin-2-one; N,N-dimethyl-formamide; at 20 ℃; for 8h; Solvent;

Reference yield: 75.2%

2,3-dichloro-5-trifluoromethylpyridine (69045-84-7) → 3-chloro-5-(trifluoromethyl)-2-hydroxypyridine (76041-71-9)

Guidance literature:

With potassium hydroxide; In tert-butyl alcohol; for 1h; Heating;

Reference yield:

2,3-dichloro-5-(trichloromethyl)pyridine (69045-83-6) → 3-chloro-5-(trifluoromethyl)-2-hydroxypyridine (76041-71-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 80.4 percent / antimony trifluoride / 0.17 h / Heating; Irradiation

2: 75.2 percent / potassium hydroxide / 2-methyl-propan-2-ol / 1 h / Heating

With potassium hydroxide; antimony(III) fluoride; In tert-butyl alcohol;

upstream raw materials:

2,3-dichloro-5-trifluoromethylpyridine

2,3-dichloro-5-(trichloromethyl)pyridine

6-hydroxy-3-pyridinecarboxylic acid

2-hydroxy-5-(trifluoromethyl)pyridine

Downstream raw materials:

3-chloro-1-[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-trifluoromethylpentyl]-5-trifluoromethyl-1H-pyridin-2-one

3-chloro-5-(trifluoromethyl)-2-pyridinyl tosylate

2-bromo-3-chloro-5-(trifluoromethyl)pyridine

3-chloro-4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)aniline

Refernces

• 1、 Haga, Takahiro,Fujikawa, Kan-ichi,Koyanagi, Tohru,Nakajima, Toshio,Hayashi, Kouji. "SOME NEW 2-SUBSTITUTED 5-TRIFLUOROMETHYLPYRIDINES". . p. 117 - 124. Retrieved 2007/10/02.