3,3-Bis(methylsulfanyl)-1-(4-nitrophenyl)prop-2-en-1-one

Base Information

Chemical Name:3,3-Bis(methylsulfanyl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS No.:81375-97-5
Molecular Formula:C11H11 N O3 S2
Molecular Weight:269.345
Hs Code.:
ChEMBL ID:CHEMBL241632
DSSTox Substance ID:DTXSID90409063
Nikkaji Number:J433.821I
Mol file:81375-97-5.mol

Synonyms:81375-97-5;3,3-bis(methylsulfanyl)-1-(4-nitrophenyl)prop-2-en-1-one;3,3-BIS-METHYLSULFANYL-1-(4-NITRO-PHENYL)-PROPENONE;CHEMBL241632;SCHEMBL21253256;DTXSID90409063;FT-0703680;3,3-bis(methylthio)-1-(4-nitrophenyl)prop-2-en-1-one

Suppliers and Price of 3,3-Bis(methylsulfanyl)-1-(4-nitrophenyl)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
3,3-BIS-METHYLSULFANYL-1-(4-NITRO-PHENYL)-PROPENONE 95.00%
5MG
$ 501.56

Total 4 raw suppliers

Chemical Property of 3,3-Bis(methylsulfanyl)-1-(4-nitrophenyl)prop-2-en-1-one

Chemical Property:

Vapor Pressure:1.36E-07mmHg at 25°C
Refractive Index:1.631
Boiling Point:429.8°C at 760 mmHg
Flash Point:213.7°C
PSA：113.49000
Density:1.322g/cm³
LogP:3.86810
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:269.01803556
Heavy Atom Count:17
Complexity:311

Purity/Quality:

97% ^*data from raw suppliers

3,3-BIS-METHYLSULFANYL-1-(4-NITRO-PHENYL)-PROPENONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC(=CC(=O)C1=CC=C(C=C1)[N+](=O)[O-])SC

Technology Process of 3,3-Bis(methylsulfanyl)-1-(4-nitrophenyl)prop-2-en-1-one

There total 2 articles about 3,3-Bis(methylsulfanyl)-1-(4-nitrophenyl)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: 68.0%

: 41501-63-7
2,2-dichlorovinyl 4-nitrophenyl ketone

: 5188-07-8
sodium thiomethoxide

: 81375-97-5
Bis(methylthio)-3,3-(nitro-4 phenyl)-1 propene-2 one-1

Guidance literature:: In diethyl ether; acetonitrile; for 2h; Heating;
DOI:10.1055/s-1982-29748

Reference yield: 56.0%

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

: 100-19-6
(4-nitrophenyl)ethanone

: 74-88-4
methyl iodide

: 81375-97-5
Bis(methylthio)-3,3-(nitro-4 phenyl)-1 propene-2 one-1

Guidance literature:: (4-nitrophenyl)ethanone; With sodium hydride; In benzene; at 20 ℃; for 0.0833333h; Cooling with ice;

carbon disulfide; In benzene; at 20 ℃; for 0.0833333h;

methyl iodide; Further stages;

Reference yield: 92.0%

: 81375-97-5
Bis(methylthio)-3,3-(nitro-4 phenyl)-1 propene-2 one-1

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 881889-88-9
3,3-bis(methylsulfanyl)-2-(4-nitrobenzoyl)acrylaldehyde

Guidance literature:: N,N-dimethyl-formamide; With trichlorophosphate; at 20 ℃; for 0.333333h;

Bis(methylthio)-3,3-(nitro-4 phenyl)-1 propene-2 one-1; at 20 ℃;
DOI:10.1055/s-2005-918491