2-Methyl-6-(4-methylphenyl)-3-(phenylsulfanyl)heptan-4-one

Base Information

Chemical Name:2-Methyl-6-(4-methylphenyl)-3-(phenylsulfanyl)heptan-4-one
CAS No.:88065-35-4
Molecular Formula:C21H26OS
Molecular Weight:326.503
Hs Code.:
DSSTox Substance ID:DTXSID90541255

Synonyms:88065-35-4;DTXSID90541255;2-Methyl-6-(4-methylphenyl)-3-(phenylsulfanyl)heptan-4-one

Suppliers and Price of 2-Methyl-6-(4-methylphenyl)-3-(phenylsulfanyl)heptan-4-one

Supply Marketing:

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

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Chemical Property of 2-Methyl-6-(4-methylphenyl)-3-(phenylsulfanyl)heptan-4-one

Chemical Property:

XLogP3:6.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:326.17043662
Heavy Atom Count:23
Complexity:351

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C(C)CC(=O)C(C(C)C)SC2=CC=CC=C2

Technology Process of 2-Methyl-6-(4-methylphenyl)-3-(phenylsulfanyl)heptan-4-one

There total 8 articles about 2-Methyl-6-(4-methylphenyl)-3-(phenylsulfanyl)heptan-4-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: 28.0%

: 88065-34-3
2-methyl-6-(p-tolyl)-3,3-bisphenylthioheptan-4-ol

: 88065-35-4
2-methyl-6-(p-tolyl)-3-phenylthioheptan-4-one

Guidance literature:: With toluene-4-sulfonic acid;
DOI:10.1016/S0040-4039(00)94317-X

Reference yield: 19.0%

: 88065-34-3
2-methyl-6-(p-tolyl)-3,3-bisphenylthioheptan-4-ol

: 88065-35-4
2-methyl-6-(p-tolyl)-3-phenylthioheptan-4-one

: 98711-73-0
2-methyl-6-(p-tolyl)-4-phenylthioheptan-3-one

Guidance literature:: With toluene-4-sulfonic acid; In benzene; for 0.0166667h;
DOI:10.1039/P19850001237

Reference yield:

: 122-00-9
para-methylacetophenone

: 88065-35-4
2-methyl-6-(p-tolyl)-3-phenylthioheptan-4-one

Guidance literature:: Multi-step reaction with 6 steps

1: 1.) sodium hydride / 1.) dimethoxyethane, 30 min, room temperature 2.) reflux, 5 h, dimethoxy ethane

2: 96 percent / hydrogen / 5percent palladium on charcoal / ethanol / 6 h / 760 Torr

3: 85 percent / lithium aluminium hydride / tetrahydrofuran / 0.5 h

4: 57 percent / pyridinium chlorochromate / CH₂Cl₂ / 1.5 h / other reagent

5: 1.) n-butyl-lithium, TMEDA 2.) n-butyl-lithium / 1.) hexane, THF, 0 deg C, 15 min 2.) 30 min, hexane, THF

6: 23 percent / toluene-p-sulphonic acid / benzene / 0.02 h

With lithium aluminium tetrahydride; n-butyllithium; N,N,N,N,-tetramethylethylenediamine; hydrogen; sodium hydride; toluene-4-sulfonic acid; pyridinium chlorochromate; palladium on activated charcoal; In tetrahydrofuran; ethanol; dichloromethane; benzene;
DOI:10.1039/P19850001237