(2-Methyl-1-phenylsulfanylpropyl)sulfanylbenzene

Base Information

• Chemical Name: (2-Methyl-1-phenylsulfanylpropyl)sulfanylbenzene
• CAS No.: 54905-13-4
• Molecular Formula: C16H18S2
• Molecular Weight: 274.451
• DSSTox Substance ID: DTXSID40381648
• Nikkaji Number: J602.597H
• Wikidata: Q82172601
• Mol file: 54905-13-4.mol

Synonyms:(2-methyl-1-phenylsulfanylpropyl)sulfanylbenzene;54905-13-4;1-{[2-methyl-1-(phenylthio)propyl]thio}benzene;{[2-methyl-1-(phenylsulfanyl)propyl]sulfanyl}benzene;SCHEMBL24012949;DTXSID40381648;2-Methylpropanal diphenyldithioacetal;(2-methyl-1-phenylsulfanyl-propyl)sulfanyl-benzene

Chemical Property of (2-Methyl-1-phenylsulfanylpropyl)sulfanylbenzene

Chemical Property:

• XLogP3: 6.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 274.08499292
• Heavy Atom Count: 18
• Complexity: 195

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(SC1=CC=CC=C1)SC2=CC=CC=C2

Technology Process of (2-Methyl-1-phenylsulfanylpropyl)sulfanylbenzene

There total 7 articles about (2-Methyl-1-phenylsulfanylpropyl)sulfanylbenzene 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: 98.0%

thiophenol (108-98-5) + isobutyraldehyde (78-84-2) → isopropyl aldehyde dithiophenylacetal (54905-13-4)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 8h; Heating;

Reference yield: 87.0%

thexylphenylthioborane (112698-79-0) + isobutyric Acid (79-31-2) → isopropyl aldehyde dithiophenylacetal (54905-13-4)

Guidance literature:

With boron tribromide-dimethyl sulfide complex; In dichloromethane; for 4h; Ambient temperature;

DOI:10.1016/S0040-4039(00)96008-8

Reference yield: 82.0%

isobutyraldehyde diethyl acetal (1741-41-9) + thiophenol (108-98-5) → isopropyl aldehyde dithiophenylacetal (54905-13-4)

Guidance literature:

With diethyl ether; lithium perchlorate; at 28 ℃; for 0.166667h;

DOI:10.1021/jo00095a049

upstream raw materials:

thiophenol

isobutyraldehyde

isobutyraldehyde diethyl acetal

thexylphenylthioborane

Downstream raw materials:

methyl (2RS,3RS)-3,5-dimethyl-2,4,4-tris(phenylthio)hexanoate

C₂₇H₃₀S₃

C₂₇H₃₀S₃

(3RS,4RS)-2,4,6-trimethyl-3,5,5-tris(phenylthio)heptan-2-ol

Refernces

• 1、 Kobayashi, Kazuhiro,Kawakita, Masataka,Yokota, Kouichi,Mannami, Tohru,Yamamoto, Koji,et al.. "Reactions of Sulfoxides with Magnesium Amides. Transformations of Sulfoxides into Sulfides, Dithioacetals and Vinyl Sulfides". . p. 1401 - 1408. Retrieved 2007/10/02.
• 2、 Turchaninova, L.P.,Shipov, A.G.,Korchevin, N.A.,Deryagina, E.N.,Baukov, Yu.I.,Voronkov, M.G.. "SYNTHESIS OF 2-METHYLPROPENYL SULFIDES AND THEIR OXYGEN AND NITROGEN ANALOGS". . p. 1889 - 1892. Retrieved 2007/10/02.