2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide

Base Information

Chemical Name:2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide
CAS No.:935-52-4
Molecular Formula:C₆H₁₁O₃PS
Molecular Weight:194.191
Hs Code.:2930909090
NSC Number:53139
DSSTox Substance ID:DTXSID00239454
Nikkaji Number:J51.488H
Wikidata:Q83121811
Mol file:935-52-4.mol

Synonyms:Etbicythionat;224790-71-0;935-52-4;2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide;BRN 1909749;4-Ethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-sulfide;2-(Hydroxymethyl)-2-ethyl-1,3-propanediol, cyclic phosphorothioate (1:1);4-ethyl-1-sulfanylidene-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane;Phosphorothioic acid, cyclic O,O,O-ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol;1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, cyclic phosphate (1:1);2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-ethyl-, 1-sulfide;4-Ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-1-sulfide;C6H11O3PS;SCHEMBL8837441;DTXSID00239454;C6-H11-O3-P-S;NSC53139;NSC 53139;NSC-53139;AKOS006273372;WLN: T66 A B AO EOPOTJ C2 FS;LS-157656;J-014737;4-Ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane1-sulfide;4-Ethyl-2,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-sulfide;2,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-ethyl-, 1-sulfide;4-Ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-sulphide;4-ETHYL-2,6,7-TRIOXA-1??-PHOSPHABICYCLO[2.2.2]OCTANE-1-THIONE;1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, cyclic O,O,O-ester with phosphorothioic acid;1,3-PROPANEDIOL, 2-ETHYL-2-(HYDROXYMETHYL)-, CYCLIC PHOSPHOROTHIOATE (1:1);Phosphorothioic acid,O,O-ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol

Suppliers and Price of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 1 raw suppliers

Chemical Property of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide

Chemical Property:

Vapor Pressure:0.365mmHg at 25°C
Boiling Point:205°Cat760mmHg
Flash Point:77.8°C
PSA：69.59000
Density:1.34g/cm³
LogP:2.33490
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:194.01665238
Heavy Atom Count:11
Complexity:187

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC12COP(=S)(OC1)OC2

Technology Process of 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide

There total 3 articles about 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane, 4-ethyl-, 1-sulfide 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: 82.0%

: 824-11-3
ethriol phosphite

: 935-52-4
4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-1-thioxide

Guidance literature:: With sulfur; In toluene; for 6h; Heating;
DOI:10.1007/BF02252166

Reference yield:

: 77-99-6
1,1,1-tri(hydroxymethyl)propane

: 935-52-4
4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-1-thioxide

Guidance literature:: Multi-step reaction with 2 steps

1: (EtO)3P, Et₃N

2: (i) Br₂, (ii) octane-1-thiol

With triethylamine; triethyl phosphite;
DOI:10.1021/ja00863a022