(5-Fluoro-2-nitrophenyl)methanol

Base Information

• Chemical Name: (5-Fluoro-2-nitrophenyl)methanol
• CAS No.: 287121-32-8
• Molecular Formula: C7H6FNO3
• Molecular Weight: 171.128
• Hs Code.: 2906290090
• DSSTox Substance ID: DTXSID60475876
• Wikidata: Q82306693
• Mol file: 287121-32-8.mol

Synonyms:(5-Fluoro-2-nitrophenyl)methanol;287121-32-8;5-Fluoro-2-nitrobenzyl alcohol;Benzenemethanol, 5-fluoro-2-nitro-;C7H6FNO3;5-Fluoro-2-nitrobenzylalcohol;MFCD06202666;SCHEMBL1414035;DTXSID60475876;CWOZQRGVHQIIJL-UHFFFAOYSA-N;(5-Fluoro-2-nitrophenyl) methanol;(5-Fluoro-2-nitro-phenyl)-methanol;AKOS009590433;AM62544;CS-W003267;AS-61849;SY031097;EN300-56928;(5-FLUORO-2-NITROPHENYL)METHANOL,95+%

Chemical Property of (5-Fluoro-2-nitrophenyl)methanol

Chemical Property:

• Vapor Pressure: 0.00126mmHg at 25°C
• Boiling Point: 286.1oC at 760 mmHg
• PKA: 13.50±0.10(Predicted)
• Flash Point: 126.8oC
• PSA: 66.05000
• Density: 1.434g/cm3
• 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:

99.00% ^*data from raw suppliers

5-Fluoro-2-nitrobenzylalcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)CO)[N+](=O)[O-]

Technology Process of (5-Fluoro-2-nitrophenyl)methanol

There total 2 articles about (5-Fluoro-2-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: 100.0%

5-fluoro-2-nitrobenzoic acid (320-98-9) → (5-Fluoro-2-nitrophenyl)-methanol (287121-32-8)

Guidance literature:

With borane-THF; at 20 ℃; for 72h;

DOI:10.1021/jm049768a

Reference yield: 100.0%

5-fluoro-2-nitrobenzaldehyde (395-81-3) → (5-Fluoro-2-nitrophenyl)-methanol (287121-32-8)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 0 ℃; for 2h;

DOI:10.1002/anie.201705746

Reference yield: 94.0%

1,2-diamino-benzene (95-54-5) + (5-Fluoro-2-nitrophenyl)-methanol (287121-32-8) → 2-(5-fluoro-2-nitro-phenyl)-1H-benzoimidazole (10173-76-9)

Guidance literature:

With dimethyl sulfoxide; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In ethyl acetate; at 0 - 25 ℃; for 3h; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2011.08.037

upstream raw materials:

5-fluoro-2-nitrobenzoic acid

5-fluoro-2-nitrobenzaldehyde

Downstream raw materials:

5-fluoro-2-nitrobenzaldehyde

5-fluoro-1H-indole-7-carbaldehyde

2-(dibutoxymethyl)-4-fluoro-1-nitrobenzene

9-fluoro-3,4-dihydro-1H-[1,4]diazepino[6,7,1-hi]indole-2-carboxylic acid tert-butyl ester

Refernces

• 1、 Jarrige, Lucie,Blanchard, Florent,Masson, Géraldine. "Enantioselective Organocatalytic Intramolecular Aza-Diels–Alder Reaction". supporting information. p. 10573 - 10576. Retrieved 2017/08/22.
• 2、 -. "HOMOGENEOUS TIME RESOLVED FLUORESCENCE BASED TEST SYSTEM". Page/Page column 43. . Retrieved 2010/12/29.