(3-Nitrophenyl)phosphonic dichloride

Base Information

• Chemical Name: (3-Nitrophenyl)phosphonic dichloride
• CAS No.: 34909-17-6
• Molecular Formula: C6H4Cl2NO3P
• Molecular Weight: 239.982
• DSSTox Substance ID: DTXSID50382883
• Wikidata: Q82174351
• Mol file: 34909-17-6.mol

Synonyms:(3-Nitrophenyl)phosphonic dichloride;34909-17-6;Phosphonic dichloride, (3-nitrophenyl)-;SCHEMBL2031433;DTXSID50382883;WEHZTGCGYLFESQ-UHFFFAOYSA-N

Chemical Property of (3-Nitrophenyl)phosphonic dichloride

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 238.9305854
• Heavy Atom Count: 13
• Complexity: 249

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (3-Nitrophenyl)phosphonic dichloride

There total 2 articles about (3-Nitrophenyl)phosphonic dichloride 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:

(m-nitrophenyl)phosphonic acid (5337-19-9) → (3-nitrophenyl)phosphonic dichloride (34909-17-6)

Guidance literature:

With phosphorus pentachloride;

DOI:10.1021/jm00371a017

Reference yield:

→ (3-nitrophenyl)phosphonic dichloride (34909-17-6)

Guidance literature:

3-Nitro-phenylphosphonsaeure-kaliumsalz, PCl5, POCl3;

Reference yield:

(3-nitrophenyl)phosphonic dichloride (34909-17-6) → (3-aminophenyl)phosphonate de diethyle (89277-85-0)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / CH₂Cl₂ / 4 h / 25 °C

2: H₂ / 10percent Pd/C / methanol / 2585.7 - 3102.9 Torr

With hydrogen; triethylamine; palladium on activated charcoal; In methanol; dichloromethane;

DOI:10.1021/jm00371a017

upstream raw materials:

(m-nitrophenyl)phosphonic acid

Downstream raw materials:

dimethyl (3-nitrophenyl)phosphonate

diethyl (3-nitrophenyl)phosphonate

diisopropyl 3-nitrophenylphosphonate

diphenyl (3-nitrophenyl)phosphonate