Phosphorothioic acid, O,O-diethyl O-tetrahydrofurfuryl ester

Base Information

• Chemical Name: Phosphorothioic acid, O,O-diethyl O-tetrahydrofurfuryl ester
• CAS No.: 3513-92-6
• Molecular Formula: C9H19O4PS
• Molecular Weight: 254.31
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID70956565
• Nikkaji Number: J53.832I
• Mol file: 3513-92-6.mol

Synonyms:3513-92-6;Bayer 19564;ENT 23,444;BRN 6202322;Phosphorothioic acid, O,O-diethyl O-tetrahydrofurfuryl ester;DTXSID70956565;Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester;diethyl tetrahydrofurfuryl phosphorothioate;O,O-Diethyl O-[(oxolan-2-yl)methyl] phosphorothioate

Chemical Property of Phosphorothioic acid, O,O-diethyl O-tetrahydrofurfuryl ester

Chemical Property:

• Vapor Pressure: 0.00263mmHg at 25°C
• Boiling Point: 295.8°Cat760mmHg
• Flash Point: 132.7°C
• PSA: 78.82000
• Density: 1.166g/cm³
• LogP: 3.13010
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 254.07416725
• Heavy Atom Count: 15
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): A poison by ingestion.
• Hazard Codes: A poison by ingestion.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=S)(OCC)OCC1CCCO1

Technology Process of Phosphorothioic acid, O,O-diethyl O-tetrahydrofurfuryl ester

There total 2 articles about Phosphorothioic acid, O,O-diethyl O-tetrahydrofurfuryl 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: 45.0%

tetrahydrofurfuryl diethyl phosphite (91238-01-6) → tetrahydrofurfuryl diethyl thiophosphate (3513-92-6)

Guidance literature:

With sulfur; In toluene; for 2h; Heating;

DOI:10.1021/ja00331a012

Reference yield:

Tetrahydrofurfuryl alcohol (97-99-4) → tetrahydrofurfuryl diethyl thiophosphate (3513-92-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 55 percent / triethylamine / diethyl ether / 2 h / Heating

2: 45 percent / S₈ / toluene / 2 h / Heating

With sulfur; triethylamine; In diethyl ether; toluene;

DOI:10.1021/ja00331a012

upstream raw materials:

tetrahydrofurfuryl diethyl phosphite

Tetrahydrofurfuryl alcohol