(1-Methyl-5-(2-(methylsulfinyl)-2-(methylthio)vinyl)-1H-pyrrol-2-yl)(4-methylphenyl)methanone

Base Information

Chemical Name:(1-Methyl-5-(2-(methylsulfinyl)-2-(methylthio)vinyl)-1H-pyrrol-2-yl)(4-methylphenyl)methanone
CAS No.:85380-92-3
Molecular Formula:C17H19NO2S2
Molecular Weight:333.475
Hs Code.:
NSC Number:378717
ChEMBL ID:CHEMBL4297006

Synonyms:NSC378717;85380-92-3;NSC 378717;(1-Methyl-5-(2-(methylsulfinyl)-2-(methylthio)vinyl)-1H-pyrrol-2-yl)(4-methylphenyl)methanone;MLS003171383;CHEMBL4297006;NSC-378717;[1-methyl-5-[(E)-2-methylsulfanyl-2-methylsulfinyl-vinyl]pyrrol-2-yl]-(p-tolyl)methanone

Suppliers and Price of (1-Methyl-5-(2-(methylsulfinyl)-2-(methylthio)vinyl)-1H-pyrrol-2-yl)(4-methylphenyl)methanone

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

Total 2 raw suppliers

Chemical Property of (1-Methyl-5-(2-(methylsulfinyl)-2-(methylthio)vinyl)-1H-pyrrol-2-yl)(4-methylphenyl)methanone

Chemical Property:

Vapor Pressure:1.54E-14mmHg at 25°C
Boiling Point:604°Cat760mmHg
Flash Point:319.1°C
Density:1.2g/cm³
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:333.08572120
Heavy Atom Count:22
Complexity:456

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)C=C(SC)S(=O)C
Isomeric SMILES:CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)/C=C(\SC)/S(=O)C

Technology Process of (1-Methyl-5-(2-(methylsulfinyl)-2-(methylthio)vinyl)-1H-pyrrol-2-yl)(4-methylphenyl)methanone

There total 4 articles about (1-Methyl-5-(2-(methylsulfinyl)-2-(methylthio)vinyl)-1H-pyrrol-2-yl)(4-methylphenyl)methanone 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: 60.0%

: 75820-72-3
1-metil-5-p-metilbenzoil-1H-pirrolo-2-carbossialdeide

: 33577-16-1
methyl methylsulfinylmethyl sulfide

: 85380-92-3
1-(methylsulfinyl)-1-methylthio-2-(1-methyl-5-p-toluoyl-2-pyrrolyl)ethylene

Guidance literature:: With N-benzyl-trimethylammonium hydroxide; In tetrahydrofuran; for 4h; Heating;
DOI:10.1002/jhet.5570190647

Reference yield:

: 96-54-8
N-Methylpyrrole

: 85380-92-3
1-(methylsulfinyl)-1-methylthio-2-(1-methyl-5-p-toluoyl-2-pyrrolyl)ethylene

Guidance literature:: Multi-step reaction with 3 steps

1: 1) POCl₃ / 1) RT, 4 h, 2) 1,2-dichloroethane, 40 h

2: 50 percent / 1) POCl₃ / 1) 1,2-dichloroethane, reflux, 30 min, 2) 50-60 deg C, 2 h

3: 60 percent / triton B / tetrahydrofuran / 4 h / Heating

With N-benzyl-trimethylammonium hydroxide; trichlorophosphate; In tetrahydrofuran;
DOI:10.1002/jhet.5570190647

Reference yield:

: 62128-31-8
(1-methyl-1H-pyrrol-2-yl)-p-tolylmethanone

: 85380-92-3
1-(methylsulfinyl)-1-methylthio-2-(1-methyl-5-p-toluoyl-2-pyrrolyl)ethylene

Guidance literature:: Multi-step reaction with 2 steps

1: 50 percent / 1) POCl₃ / 1) 1,2-dichloroethane, reflux, 30 min, 2) 50-60 deg C, 2 h

2: 60 percent / triton B / tetrahydrofuran / 4 h / Heating

With N-benzyl-trimethylammonium hydroxide; trichlorophosphate; In tetrahydrofuran;
DOI:10.1002/jhet.5570190647