2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione

Base Information

Chemical Name:2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione
CAS No.:74440-20-3
Molecular Formula:C13H12 O2 S2
Molecular Weight:264.369
Hs Code.:
DSSTox Substance ID:DTXSID20225450
Nikkaji Number:J332.225D
Mol file:74440-20-3.mol

Synonyms:2-(1,3-dithiolan-2-ylidene)-1-phenyl-1,3-butanedione;KZ 1026;KZ-1026

Suppliers and Price of 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione

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
Packaging
price

American Custom Chemicals Corporation
2-(1,3-DITHIOLAN-2-YLIDENE)-1-PHENYLBUTANE-1,3-DIONE 95.00%
5MG
$ 503.69

Total 2 raw suppliers

Chemical Property of 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione

Chemical Property:

Vapor Pressure:3.63E-07mmHg at 25°C
Boiling Point:417.1°C at 760 mmHg
Flash Point:183.6°C
PSA：84.74000
Density:1.304g/cm³
LogP:3.14990
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:264.02787197
Heavy Atom Count:17
Complexity:346

Purity/Quality:

99% ^*data from raw suppliers

2-(1,3-DITHIOLAN-2-YLIDENE)-1-PHENYLBUTANE-1,3-DIONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C(=C1SCCS1)C(=O)C2=CC=CC=C2

Technology Process of 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione

There total 2 articles about 2-(1,3-Dithiolan-2-ylidene)-1-phenyl-1,3-butanedione 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: 70.0%

: 75-15-0,12122-00-8
carbon disulfide

: 93-91-4
1-phenylbutan-1,3-dione

: 540-51-2
2-bromoethanol

: 1155709-42-4
C₁₃H₁₂O₃S

: 74440-20-3
2-(1,3-dithiolan-2-ylidene)-1-phenylbutane-1,3-dione

Guidance literature:: 1-phenylbutan-1,3-dione; With tetrabutylammomium bromide; potassium carbonate; In water; at 20 ℃;

carbon disulfide; 2-bromoethanol; In water; at 20 ℃;
DOI:10.1055/s-0028-1083333

Reference yield: 23.5%

: 75-15-0,12122-00-8
carbon disulfide

: 93-91-4
1-phenylbutan-1,3-dione

: 540-51-2
2-bromoethanol

: 74440-20-3
2-(1,3-dithiolan-2-ylidene)-1-phenylbutane-1,3-dione

: 2-[1,3]Oxathiolan-(2E)-ylidene-1-phenyl-butane-1,3-dione

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 5h;

Reference yield: 90.0%

: 74440-20-3
2-(1,3-dithiolan-2-ylidene)-1-phenylbutane-1,3-dione

: 2957-40-6
3-(1,3-dithiolan-2-ylidene)-naphthalene-1,2,4(3H)-trione

: 134129-41-2
2-(1,3-dithiolane-2-ylidene)-3-oxo-3-phenylpropanal

Guidance literature:: With oxygen; copper diacetate; In dimethyl sulfoxide; at 115 ℃; for 24h; Reagent/catalyst; Solvent; Temperature; Time; Concentration; chemoselective reaction;
DOI:10.1021/acs.joc.5b01371