Phosphonic acid, (4-methyl-1-phenyl-1H-pyrazol-3-yl)-, diethyl ester

Base Information

• Chemical Name: Phosphonic acid, (4-methyl-1-phenyl-1H-pyrazol-3-yl)-, diethyl ester
• CAS No.: 26958-54-3
• Molecular Formula: C₁₄H₁₉N₂O₃P
• Molecular Weight: 294.29
• DSSTox Substance ID: DTXSID30445182
• Nikkaji Number: J1.193.239H
• Wikidata: Q82263532
• Mol file: 26958-54-3.mol

Synonyms:Phosphonic acid, (4-methyl-1-phenyl-1H-pyrazol-3-yl)-, diethyl ester;26958-54-3;DTXSID30445182;4-Methyl-1-phenyl-1H-pyrazole-3-ylphosphonic acid diethyl ester

Chemical Property of Phosphonic acid, (4-methyl-1-phenyl-1H-pyrazol-3-yl)-, diethyl ester

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 294.11332947
• Heavy Atom Count: 20
• Complexity: 337

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(C1=NN(C=C1C)C2=CC=CC=C2)OCC

Technology Process of Phosphonic acid, (4-methyl-1-phenyl-1H-pyrazol-3-yl)-, diethyl ester

There total 2 articles about Phosphonic acid, (4-methyl-1-phenyl-1H-pyrazol-3-yl)-, diethyl ester 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: 61.2%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + [1-(phenyl-hydrazono)-propyl]-phosphonic acid diethyl ester → (4-methyl-1-phenyl-1H-pyrazol-3-yl)-phosphonic acid diethyl ester (26958-54-3)

Guidance literature:

With trichlorophosphate;

DOI:10.1080/00397919908085923

Reference yield:

→ (4-methyl-1-phenyl-1H-pyrazol-3-yl)-phosphonic acid diethyl ester (26958-54-3)

Guidance literature:

N-Phenylsydnon, Diethylpropinylphosphonat;

upstream raw materials:

N,N-dimethyl-formamide