4-Dimethoxymethylphenyl methyl sulfide

Base Information

• Chemical Name: 4-Dimethoxymethylphenyl methyl sulfide
• CAS No.: 100515-17-1
• Molecular Formula: C10H14O2S
• Molecular Weight: 198.286
• DSSTox Substance ID: DTXSID80544654
• Nikkaji Number: J3.615.777A
• Wikidata: Q82421848
• Mol file: 100515-17-1.mol

Synonyms:4-Dimethoxymethylphenyl methyl sulfide;100515-17-1;1-(1,1-dimethoxy-methyl)-4-methylsulfanyl-benzene;SCHEMBL6829926;DTXSID80544654;MUEWUNUBHRREED-UHFFFAOYSA-N;4-(Methylthio)benzaldehyde dimethyl acetal;1-(dimethoxymethyl)-4-methylsulfanylbenzene;1-(Dimethoxymethyl)-4-(methylsulfanyl)benzene

Chemical Property of 4-Dimethoxymethylphenyl methyl sulfide

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 198.07145086
• Heavy Atom Count: 13
• Complexity: 129

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(C1=CC=C(C=C1)SC)OC

Technology Process of 4-Dimethoxymethylphenyl methyl sulfide

There total 3 articles about 4-Dimethoxymethylphenyl methyl sulfide 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: 91.0%

methanol (67-56-1) + 4-(Methylthio)benzaldehyde (3446-89-7) → 1-(1,1-dimethoxy-methyl)-4-methylsulfanyl-benzene (100515-17-1)

Guidance literature:

With pyridinium p-toluenesulfonate; for 18h; Inert atmosphere; Reflux;

DOI:10.1021/acs.orglett.6b01305

Reference yield:

(MeO)3CH + 4-(Methylthio)benzaldehyde (3446-89-7) → 1-(1,1-dimethoxy-methyl)-4-methylsulfanyl-benzene (100515-17-1)

Guidance literature:

With sodium methylate; toluene-4-sulfonic acid; SiO₂;

Reference yield:

2-chloroperbenzoic acid (5106-05-8) → 1-(1,1-dimethoxy-methyl)-4-methylsulfanyl-benzene (100515-17-1)

Guidance literature:

upstream raw materials:

4-(Methylthio)benzaldehyde

2-chloroperbenzoic acid

methanol

Downstream raw materials:

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-benzaldehydedimethyl acetal

para-methanesulfonylbenzaldehyde

Refernces

• 1、 Yi, Hong,Niu, Linbin,Wang, Shengchun,Liu, Tianyi,Singh, Atul K.,Lei, Aiwen. "Visible-light-induced acetalization of aldehydes with alcohols". supporting information. p. 122 - 125. Retrieved 2017/11/27.
• 2、 -. "NEW BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS". . . Retrieved 2008/06/13.