(2-Fluoro-6-nitrophenyl)methanol

Base Information

• Chemical Name: (2-Fluoro-6-nitrophenyl)methanol
• CAS No.: 1643-60-3
• Molecular Formula: C7H6FNO3
• Molecular Weight: 171.128
• Hs Code.: 2906290090
• DSSTox Substance ID: DTXSID10693205
• Wikidata: Q82622231
• Mol file: 1643-60-3.mol

Synonyms:(2-Fluoro-6-nitrophenyl)methanol;1643-60-3;2-Fluoro-6-nitrobenzyl alcohol;DTXSID10693205;BAA64360;MFCD11110169;AKOS006306407;SB84099;PS-10569;CS-0380069;EN300-1827882

Chemical Property of (2-Fluoro-6-nitrophenyl)methanol

Chemical Property:

• Boiling Point: 287.0±25.0 °C(Predicted)
• PKA: 13.29±0.10(Predicted)
• PSA: 66.05000
• Density: 1.434±0.06 g/cm3(Predicted)
• LogP: 1.74940
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 171.03317122
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

98.5% ^*data from raw suppliers

2-Fluoro-6-nitrobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)F)CO)[N+](=O)[O-]

Technology Process of (2-Fluoro-6-nitrophenyl)methanol

There total 3 articles about (2-Fluoro-6-nitrophenyl)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%

6-fluoro-2-nitrobenzoic acid (385-02-4) → (2-fluoro-6-nitrophenyl)methanol (1643-60-3)

Guidance literature:

With sodium tetrahydroborate; boron trifluoride dimethyl etherate; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1021/jo200530j

Reference yield: 75.0%

2-(bromomethyl)-1-fluoro-3-nitrobenzene (1958-93-6) → (2-fluoro-6-nitrophenyl)methanol (1643-60-3)

Guidance literature:

With calcium carbonate; In 1,4-dioxane; water; for 16h; Reflux;

DOI:10.1016/j.ejmech.2021.113843

Reference yield:

1-fluoro-2-methyl-3-nitrobenzene (769-10-8) → (2-fluoro-6-nitrophenyl)methanol (1643-60-3)

Guidance literature:

Multi-step reaction with 2 steps

1: NBS, (PhCO)2O₂ / CCl₄

2: aq. Na₂CO₃

With N-Bromosuccinimide; sodium carbonate; dibenzoyl peroxide; In tetrachloromethane;

upstream raw materials:

2-(bromomethyl)-1-fluoro-3-nitrobenzene

1-fluoro-2-methyl-3-nitrobenzene

6-fluoro-2-nitrobenzoic acid

Downstream raw materials:

2-fluoro-6-nitrobenzaldehyde

6-fluoro-2-nitrobenzoic acid

1-fluoro-3-nitro-2-(2-nitro-vinyl)-benzene

tert-butyl N-(diphenylmethylidene)-2-fluoro-6-nitro-L-phenylalaninate