1,4-Bis(methylsulfonylsulfanylmethyl)benzene

Base Information

• Chemical Name: 1,4-Bis(methylsulfonylsulfanylmethyl)benzene
• CAS No.: 3948-46-7
• Molecular Formula: C10H14O4S4
• Molecular Weight: 326.47576
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90409301
• Wikidata: Q82215077
• Mol file: 3948-46-7.mol

Synonyms:3948-46-7;1,4-bis(methylsulfonylsulfanylmethyl)benzene;alpha,alpha'-Paraxylyl Bismethanethiosulfonate;DTXSID90409301;AKOS030253189;?,?'-Paraxylyl Bismethanethiosulfonate;FT-0673517;alpha , alpha '-Paraxylyl Bismethanethiosulfonate;|A,|A inverted exclamation mark -Paraxylyl Bismethanethiosulfonate

Chemical Property of 1,4-Bis(methylsulfonylsulfanylmethyl)benzene

Chemical Property:

• Melting Point: 180-182°C
• PSA: 135.64000
• LogP: 4.23380
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly, Heated), Ethyl Acetate (Slightly, Heated)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 325.97749362
• Heavy Atom Count: 18
• Complexity: 391

Purity/Quality:

98%Min ^*data from raw suppliers

α,α’-ParaxylylBismethanethiosulfonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)SCC1=CC=C(C=C1)CSS(=O)(=O)C
• Uses: A sulfhydryl cross-linking reagent.

Technology Process of 1,4-Bis(methylsulfonylsulfanylmethyl)benzene

There total 1 articles about 1,4-Bis(methylsulfonylsulfanylmethyl)benzene 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:

1,4-bis(bromomethyl)benzene (623-24-5) + sodium methanethiosulfonate (1950-85-2) → 1,4-bis(methanesulfonylthiomethyl)benzene (3948-46-7)

Guidance literature:

In ethanol; Heating;

DOI:10.1248/cpb.12.1271

Reference yield:

2,3,4,6-tetra-O-acetyl-1-thio-D-galactopyranose (19879-84-6,56981-51-2,72541-16-3,72748-72-2,92691-83-3,110660-22-5,50615-66-2) + 1,4-bis(methanesulfonylthiomethyl)benzene (3948-46-7) → 1,4-di-{[(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)dithio]methyl}benzene (1379507-89-7)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at -65 - -50 ℃; for 0.666667h;

DOI:10.1016/j.bmcl.2013.04.030

Reference yield:

1,4-bis(methanesulfonylthiomethyl)benzene (3948-46-7) + 1-thio-2,3,6-tri-O-acetyl-4-(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)-β-D-glucopyranose → C60H78O34S4

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.bmc.2017.04.011

upstream raw materials:

1,4-bis(bromomethyl)benzene

sodium methanethiosulfonate

Downstream raw materials:

1,4-di-{[(2,3,4,6-tetra-O-acetyl-β-D-galactopyranosyl)dithio]methyl}benzene

1,4-di-{[(β-D-galactopyranosyl)dithio]methyl}benzene

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