[(3-Nitrophenyl)methyl]phosphonic acid

Base Information

• Chemical Name: [(3-Nitrophenyl)methyl]phosphonic acid
• CAS No.: 40299-58-9
• Molecular Formula: C7H8NO5P
• Molecular Weight: 217.118
• ChEMBL ID: CHEMBL304543
• DSSTox Substance ID: DTXSID80546436
• Wikidata: Q82424275
• Mol file: 40299-58-9.mol

Synonyms:40299-58-9;[(3-Nitrophenyl)methyl]phosphonic acid;CHEMBL304543;SCHEMBL2637757;DTXSID80546436

Chemical Property of [(3-Nitrophenyl)methyl]phosphonic acid

Chemical Property:

• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 217.01400935
• Heavy Atom Count: 14
• Complexity: 257

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CP(=O)(O)O

Technology Process of [(3-Nitrophenyl)methyl]phosphonic acid

There total 3 articles about [(3-Nitrophenyl)methyl]phosphonic acid 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:

1-(diethoxyphosphorylmethyl)-3-nitro-benzene (104097-04-3) → m-nitrobenzylphosphonic acid (40299-58-9)

Guidance literature:

With hydrogenchloride;

Reference yield:

1-bromomethyl-3-nitrobenzene (3958-57-4) → m-nitrobenzylphosphonic acid (40299-58-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 1 h / Heating

2: HBr / 12 h / Heating

With hydrogen bromide;

DOI:10.1246/bcsj.60.277

Reference yield:

3-Nitrobenzyl alcohol (619-25-0) → m-nitrobenzylphosphonic acid (40299-58-9)

Guidance literature:

Multi-step reaction with 3 steps

1: PBr₃

2: 150 °C

3: aq. HCl

With hydrogenchloride; phosphorus tribromide;

upstream raw materials:

1-(diethoxyphosphorylmethyl)-3-nitro-benzene

1-bromomethyl-3-nitrobenzene

3-Nitrobenzyl alcohol

Downstream raw materials:

ethyl phosphate

1-methyl-3-nitrobenzene

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