Pyraclofos

Base Information

• Chemical Name: Pyraclofos
• CAS No.: 89784-60-1
• Deprecated CAS: 77458-01-6,84287-71-8
• Molecular Formula: C₁₄H₁₈ClN₂O₃PS
• Molecular Weight: 360.801
• European Community (EC) Number: 618-301-6,623-723-9
• UNII: M0W5LEC929
• DSSTox Substance ID: DTXSID4058493
• Nikkaji Number: J209.334K
• Wikidata: Q22808806
• Metabolomics Workbench ID: 56051
• Mol file: 89784-60-1.mol

Synonyms:O-(1-(4-chlorophenyl)-4-pyrazolyl) O-ethyl S-propyl phosphorothioate;OMS 3040;OMS-3040;pyraclofos

Chemical Property of Pyraclofos

Chemical Property:

• Boiling Point: 453.5±51.0 °C(Predicted)
• PKA: -1.95±0.10(Predicted)
• PSA: 88.46000
• Density: 1.33±0.1 g/cm3(Predicted)
• LogP: 5.19230
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 360.0464283
• Heavy Atom Count: 22
• Complexity: 383

Purity/Quality:

99.9% ^*data from raw suppliers

Pyraclofos ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: A poison by ingestion, subcutaneous, and intraperitoneal routes. Moderately toxic b"> x, SOx, POx, and Cl−." target="_blank">A poison by ingestion, subcutaneous, and intraperitoneal routes. Moderately toxic b

MSDS Files:

Useful:

• Canonical SMILES: CCCSP(=O)(OCC)OC1=CN(N=C1)C2=CC=C(C=C2)Cl

Technology Process of Pyraclofos

There total 4 articles about Pyraclofos 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:

O-[1-(4-chlorophenyl)pyrazol-4-yl]-O,O-diethyl phosphite (84260-11-7) + Dipropyl disulfide (629-19-6) → (RS)-O-1-(4-chlorophenyl)pyrazol-4-yl O-ethyl S-propyl phosphorothioate (77458-01-6,89784-60-1)

Guidance literature:

With sodium hydroxide; sulfuryl dichloride; In toluene;

Reference yield:

1-(4-chlorophenyl)-1H-pyrazol-4-ol (77458-30-1) + O-ethyl-S-propyl phosphorochloridate (7651-98-1) → (RS)-O-1-(4-chlorophenyl)pyrazol-4-yl O-ethyl S-propyl phosphorothioate (77458-01-6,89784-60-1)

Guidance literature:

With triethylamine; In acetonitrile;

Reference yield:

sodium O-ethyl-O-[1-(4-chlorophenyl)pyrazol-4-yl]phosphorothiolate (96381-04-3) + propyl bromide (106-94-5) → (RS)-O-1-(4-chlorophenyl)pyrazol-4-yl O-ethyl S-propyl phosphorothioate (77458-01-6,89784-60-1)

Guidance literature:

In ethanol; toluene;

upstream raw materials:

sodium O-ethyl-O-[1-(4-chlorophenyl)pyrazol-4-yl]phosphorothiolate

propyl bromide

O-[1-(4-chlorophenyl)pyrazol-4-yl]-O,O-diethyl phosphite

Dipropyl disulfide

Refernces

• 1、 -. "Pyrazol-4-yl phosphates and insecticidal and acaricidal use". . . Retrieved 2008/06/13.