s-Butyl o-ethyl ethylphosphonothioate

Base Information

• Chemical Name: s-Butyl o-ethyl ethylphosphonothioate
• CAS No.: 50728-05-7
• Molecular Formula: C8H19O2PS
• Molecular Weight: 210.277
• NSC Number: 133041
• DSSTox Substance ID: DTXSID70299823
• Mol file: 50728-05-7.mol

Synonyms:50728-05-7;s-butyl o-ethyl ethylphosphonothioate;NSC133041;DTXSID70299823;NSC-133041

Chemical Property of s-Butyl o-ethyl ethylphosphonothioate

Chemical Property:

• Vapor Pressure: 0.0147mmHg at 25°C
• Boiling Point: 265.8°C at 760 mmHg
• Flash Point: 114.6°C
• Density: 1.025g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 210.08433802
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCSP(=O)(CC)OCC

Technology Process of s-Butyl o-ethyl ethylphosphonothioate

There total 1 articles about s-Butyl o-ethyl ethylphosphonothioate 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:

n-butanethiol (109-79-5) + ethyl ethylphosphonochloridate (5284-10-6) → Ethyl-thiophosphonsaeure-O-ethyl-S-n-butylester (50728-05-7)

Guidance literature:

DOI:10.1007/BF00930077

Reference yield: 65.0%

ethanol (64-17-5) + Ethyl-thiophosphonsaeure-O-ethyl-S-n-butylester (50728-05-7) → ethylphosphonic acid diethyl ester (78-38-6)

Guidance literature:

With cesium fluoride; In chloroform; for 96h; Ambient temperature;

Reference yield:

Ethyl-thiophosphonsaeure-O-ethyl-S-n-butylester (50728-05-7) → ethyl hydrogen ethylphosphonate (7305-61-5) + butane-1-sulfonic acid (2386-47-2)

Guidance literature:

With sodium hypochlorite; benzyltrioctylammonium chloride; In toluene; at 20 ℃; Product distribution; var. reag.: Ca(OCl)2, var. solv.: CCl₂=CCl₂, MeOAc, EtOAc, PrOAc, BuOAc; var. pH; without cat.;

upstream raw materials:

n-butanethiol

ethyl ethylphosphonochloridate

Downstream raw materials:

ethylphosphonic acid diethyl ester

ethyl hydrogen ethylphosphonate

butane-1-sulfonic acid