2-Methyl-3-oxobutyl 4-methylbenzene-1-sulfonate

Base Information

Chemical Name:2-Methyl-3-oxobutyl 4-methylbenzene-1-sulfonate
CAS No.:90047-25-9
Molecular Formula:C₁₂H₁₆O₄S
Molecular Weight:256.323
Hs Code.:
DSSTox Substance ID:DTXSID40537264
Nikkaji Number:J680.643K

Synonyms:90047-25-9;2-Methyl-3-oxobutyl 4-methylbenzene-1-sulfonate;SCHEMBL16583135;DTXSID40537264

Suppliers and Price of 2-Methyl-3-oxobutyl 4-methylbenzene-1-sulfonate

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-3-oxobutyl 4-methylbenzene-1-sulfonate

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:256.07693016
Heavy Atom Count:17
Complexity:347

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-Methyl-3-oxobutyl 4-methylbenzene-1-sulfonate

There total 1 articles about 2-Methyl-3-oxobutyl 4-methylbenzene-1-sulfonate 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:

: 3393-64-4,497922-30-2
4-hydroxy-3-methyl-2-butanone

: 98-59-9
p-toluenesulfonyl chloride

: 90047-25-9
Toluene-4-sulfonic acid 2-methyl-3-oxo-butyl ester

Guidance literature:: With pyridine; for 14h; Ambient temperature;
DOI:10.1021/jo00186a014

Reference yield:

: 90047-25-9
Toluene-4-sulfonic acid 2-methyl-3-oxo-butyl ester

: 90047-26-0
2-Methyl-2-(1-methyl-2-phenylsulfanyl-ethyl)-[1,3]dioxolane

Guidance literature:: Multi-step reaction with 2 steps

1: 15 g / t-BuOK / dimethylformamide / 12 h / Ambient temperature

2: p-TsOH / benzene / 3 h / Heating

With potassium tert-butylate; toluene-4-sulfonic acid; In N,N-dimethyl-formamide; benzene;
DOI:10.1021/jo00186a014

Reference yield:

: 90047-25-9
Toluene-4-sulfonic acid 2-methyl-3-oxo-butyl ester

: 90734-08-0,90820-43-2
(S)-4-Benzenesulfonyl-2-((3aR,5aS,6R,10R,10aR)-10-methoxy-3a,5a-dimethyl-hexadecahydro-cyclopenta[a]cyclopropa[2,3]cyclopenta[1,2-f]naphthalen-6-yl)-5-(2-methyl-[1,3]dioxolan-2-yl)-hexan-3-ol

Guidance literature:: Multi-step reaction with 4 steps

1: 15 g / t-BuOK / dimethylformamide / 12 h / Ambient temperature

2: p-TsOH / benzene / 3 h / Heating

3: 19 g / m-chloroperbenzoic acid (m-CPBA) / CH₂Cl₂ / 1.) < 30 deg C, 2.) room temperature, 1,5 h

4: 1.) ethylmagnesium bromide / 1.) benzene, 15 min, room temperature, 2.) 2,5 h, room temperature

With ethylmagnesium bromide; potassium tert-butylate; toluene-4-sulfonic acid; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; N,N-dimethyl-formamide; benzene;
DOI:10.1021/jo00186a014