1-(3-Methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one

Base Information

Chemical Name:1-(3-Methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
CAS No.:56944-71-9
Molecular Formula:C12H14O2S2
Molecular Weight:255.3763
Hs Code.:
DSSTox Substance ID:DTXSID90437583
Mol file:56944-71-9.mol

Synonyms:1-(3-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one;56944-71-9;SCHEMBL6139676;DTXSID90437583

Suppliers and Price of 1-(3-Methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one

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
1-(3-METHOXY-PHENYL)-3,3-BIS-METHYLSULFANYL-PROPENONE 95.00%
5MG
$ 503.97

Total 4 raw suppliers

Chemical Property of 1-(3-Methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one

Chemical Property:

Boiling Point:386.5±42.0 °C(Predicted)
PSA：76.90000
Density:1.178±0.06 g/cm3(Predicted)
LogP:3.44530
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:254.04352203
Heavy Atom Count:16
Complexity:258

Purity/Quality:

97% ^*data from raw suppliers

1-(3-METHOXY-PHENYL)-3,3-BIS-METHYLSULFANYL-PROPENONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC(=C1)C(=O)C=C(SC)SC

Technology Process of 1-(3-Methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one

There total 3 articles about 1-(3-Methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one 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: 92.0%

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

: 586-37-8
1-(3-Methoxyphenyl)ethanone

: 74-88-4
methyl iodide

: 56944-71-9
3-methoxyphenyl α-oxoketen dithioacetal

Guidance literature:: With sodium; In tert-butyl alcohol; benzene; for 4h;

Reference yield:

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

: 77-78-1
dimethyl sulfate

: 586-37-8
1-(3-Methoxyphenyl)ethanone

: 56944-71-9
3-methoxyphenyl α-oxoketen dithioacetal

Guidance literature:: 1-(3-Methoxyphenyl)ethanone; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.25h; Inert atmosphere;

carbon disulfide; In tetrahydrofuran; at 0 ℃; for 4h; Inert atmosphere;

dimethyl sulfate; In tetrahydrofuran; at 0 - 20 ℃; for 4h; Inert atmosphere;
DOI:10.1039/c4ob01300j