(4-Chloro-5-fluoropyridin-2-yl)methanol

Base Information

• Chemical Name: (4-Chloro-5-fluoropyridin-2-yl)methanol
• CAS No.: 113209-90-8
• Molecular Formula: C₆H₅ClFNO
• Molecular Weight: 161.563
• Hs Code.: 2933399990
• European Community (EC) Number: 640-872-5
• DSSTox Substance ID: DTXSID60599960
• Wikidata: Q72451425
• Mol file: 113209-90-8.mol

Synonyms:113209-90-8;4-Chloro-5-fluoro-2-pyridinemethanol;(4-chloro-5-fluoropyridin-2-yl)methanol;2-Pyridinemethanol, 4-chloro-5-fluoro-;MFCD09953777;SCHEMBL1783170;DTXSID60599960;VYGKQYHESCOCGJ-UHFFFAOYSA-N;BCP27063;AKOS006313821;PB22370;(4-Chloro-5-fluoro-2-pyridinyl)methanol;DS-11145;SY102671;4-Chloro-5-fluoro-2-(hydroxymethyl)pyridine;A2297;CS-0054816;P10865

Chemical Property of (4-Chloro-5-fluoropyridin-2-yl)methanol

Chemical Property:

• Vapor Pressure: 0.0352mmHg at 25°C
• Boiling Point: 231.2oC at 760 mmHg
• PKA: 12.72±0.10(Predicted)
• Flash Point: 93.6oC
• PSA: 33.12000
• Density: 1.434g/cm3
• LogP: 1.36640
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 161.0043696
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-5-fluoro-2-(hydroxymethyl)pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(N=CC(=C1Cl)F)CO

Technology Process of (4-Chloro-5-fluoropyridin-2-yl)methanol

There total 7 articles about (4-Chloro-5-fluoropyridin-2-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: 53.0%

4-chloro-5-fluoro-2-methylpyridin-1-ium-1-olate (113209-89-5) → 4-chloro-5-fluoro-2-(hydroxymethyl)pyridine (113209-90-8)

Guidance literature:

With trifluoroacetic anhydride; In dichloromethane; for 168h; Ambient temperature;

DOI:10.1021/jm00128a046

Reference yield:

2‐methyl‐5‐fluoropyridine (31181-53-0) → 4-chloro-5-fluoro-2-(hydroxymethyl)pyridine (113209-90-8)

Guidance literature:

Multi-step reaction with 4 steps

1: m-chloroperbenzoic acid / CH₂Cl₂ / 16 h / Ambient temperature

2: 72 percent / HNO₃, 30percent oleum, conc. H₂SO₄ / 1) 5 deg C to RT, 1 h, 2) steam bath, 2 h

3: 89 percent / POCl₃ / CH₂Cl₂ / 1) RT, 16 h, 2) reflux, 4 h

4: 53 percent / trifluoroacetic anhydride / CH₂Cl₂ / 168 h / Ambient temperature

With sulfuric acid; nitric acid; 3-chloro-benzenecarboperoxoic acid; trifluoroacetic anhydride; trichlorophosphate; In dichloromethane;

DOI:10.1021/jm00128a046

Reference yield:

2‐methyl‐5‐fluoropyridine 1‐oxide (45673-79-8) → 4-chloro-5-fluoro-2-(hydroxymethyl)pyridine (113209-90-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 72 percent / HNO₃, 30percent oleum, conc. H₂SO₄ / 1) 5 deg C to RT, 1 h, 2) steam bath, 2 h

2: 89 percent / POCl₃ / CH₂Cl₂ / 1) RT, 16 h, 2) reflux, 4 h

3: 53 percent / trifluoroacetic anhydride / CH₂Cl₂ / 168 h / Ambient temperature

With sulfuric acid; nitric acid; trifluoroacetic anhydride; trichlorophosphate; In dichloromethane;

DOI:10.1021/jm00128a046

upstream raw materials:

4-chloro-5-fluoro-2-methylpyridin-1-ium-1-olate

5-Amino-2-methylpyridine

2‐methyl‐5‐fluoropyridine

2‐methyl‐5‐fluoropyridine 1‐oxide

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