3-Fluoro-2-hydroxy-5-nitrobenzaldehyde

Base Information

• Chemical Name: 3-Fluoro-2-hydroxy-5-nitrobenzaldehyde
• CAS No.: 2923-99-1
• Molecular Formula: C7H4FNO4
• Molecular Weight: 185.111
• DSSTox Substance ID: DTXSID001283883
• Mol file: 2923-99-1.mol

Synonyms:3-FLUORO-2-HYDROXY-5-NITROBENZALDEHYDE;2923-99-1;SCHEMBL8169950;PPXUVXCYQWPGGE-UHFFFAOYSA-N;DTXSID001283883;3-fluoro-2-hydroxy-5-nitro-benzaldehyde;A1-06270

Chemical Property of 3-Fluoro-2-hydroxy-5-nitrobenzaldehyde

Chemical Property:

• PSA: 83.12000
• LogP: 1.77520
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 185.01243577
• Heavy Atom Count: 13
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

3-Fluoro-2-hydroxy-5-nitrobenzaldehyde 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C=O)O)F)[N+](=O)[O-]

Technology Process of 3-Fluoro-2-hydroxy-5-nitrobenzaldehyde

There total 1 articles about 3-Fluoro-2-hydroxy-5-nitrobenzaldehyde 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: 95.0%

3-fluorosalicylaldehyde (394-50-3) → 3-fluoro-2-hydroxy-5-nitrobenzaldehyde (2923-99-1)

Guidance literature:

With nitric acid; In acetic acid; at 0 ℃; for 1h;

Reference yield:

1.3-propanedithiol (109-80-8) + 3-fluoro-2-hydroxy-5-nitrobenzaldehyde (2923-99-1) + p-methoxybenzyl chloride (824-94-2) → 2-(3-fluoro-2-(4-methoxybenzyloxy)-5-nitrophenyl)-1,3-dithiane

Guidance literature:

1.3-propanedithiol; 3-fluoro-2-hydroxy-5-nitrobenzaldehyde; With boron trifluoride diethyl etherate; In dichloromethane; at 20 ℃;

p-methoxybenzyl chloride; With potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 3h;

Reference yield:

3-fluoro-2-hydroxy-5-nitrobenzaldehyde (2923-99-1) → benzyl 2-(2,2-difluoroethyloxy)-3-fluoro-5-nitrobenzyl(methyl)carbamate

Guidance literature:

Multi-step reaction with 2 steps

1.1: methanol; ethanol / 1 h / 20 °C

1.2: 3 h / 0 - 20 °C

1.3: 16 h / 0 - 20 °C

2.1: caesium carbonate / N,N-dimethyl-formamide / 50 - 100 °C

With caesium carbonate; In methanol; ethanol; N,N-dimethyl-formamide;

upstream raw materials:

3-fluorosalicylaldehyde

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