Benzene, 1-[(3,3-dimethyl-1-butynyl)sulfinyl]-4-methyl-

Base Information

Chemical Name:Benzene, 1-[(3,3-dimethyl-1-butynyl)sulfinyl]-4-methyl-
CAS No.:383911-55-5
Molecular Formula:C13H16OS
Molecular Weight:220.335
Hs Code.:
DSSTox Substance ID:DTXSID70461624
Nikkaji Number:J1.647.067H
Mol file:383911-55-5.mol

Synonyms:383911-55-5;Benzene, 1-[(3,3-dimethyl-1-butynyl)sulfinyl]-4-methyl-;DTXSID70461624

Suppliers and Price of Benzene, 1-[(3,3-dimethyl-1-butynyl)sulfinyl]-4-methyl-

Supply Marketing:

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

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Chemical Property of Benzene, 1-[(3,3-dimethyl-1-butynyl)sulfinyl]-4-methyl-

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:220.09218630
Heavy Atom Count:15
Complexity:292

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)C#CC(C)(C)C

Technology Process of Benzene, 1-[(3,3-dimethyl-1-butynyl)sulfinyl]-4-methyl-

There total 4 articles about Benzene, 1-[(3,3-dimethyl-1-butynyl)sulfinyl]-4-methyl- 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: 82.0%

: (3,3-dimethylbut-1-yn-1-yl)(p-tolyl)sulfane

: 383911-55-5
3,3-dimethyl-1-butynyl p-tolyl sulfoxide

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 0 ℃; for 0.5h;
DOI:10.1021/jo034108j

Reference yield: 58.0%

: 911820-09-2
3-[(4-methylphenyl)sulfinyl]propanoic acid tert-butyl ester

: 135226-09-4
1-(3,3-dimethylbut-1-yn-1-yl)-1λ³-benzo[d][1,2]iodaoxol-3(1H)-one

: 383911-55-5
3,3-dimethyl-1-butynyl p-tolyl sulfoxide

Guidance literature:: With potassium tert-butylate; In toluene; at -40 ℃; for 3h; Inert atmosphere;
DOI:10.1021/acs.joc.9b00050

Reference yield:

: 911820-17-2
3-[(4-methylphenyl)sulfanyl]propanoic acid tert-butyl ester

: 383911-55-5
3,3-dimethyl-1-butynyl p-tolyl sulfoxide

Guidance literature:: Multi-step reaction with 2 steps

1: sodium periodate / water; methanol / 0 - 20 °C

2: potassium tert-butylate / toluene / 3 h / -40 °C / Inert atmosphere

With sodium periodate; potassium tert-butylate; In methanol; water; toluene;
DOI:10.1021/acs.joc.9b00050