Benzene, [3-(methylthio)propyl]-

Base Information

• Chemical Name: Benzene, [3-(methylthio)propyl]-
• CAS No.: 87231-07-0
• Molecular Formula: C10H14S
• Molecular Weight: 166.287
• Mol file: 87231-07-0.mol

Synonyms:methyl 3-phenylpropyl sulfide;<3-Phenyl-propyl>-methylsulfid;5-phenyl-2-thiapentane;Methyl-(3-phenyl-propyl)-sulfid;Benzene,[3-(methylthio)propyl];

Chemical Property of Benzene, [3-(methylthio)propyl]-

Chemical Property:

• PSA: 25.30000
• LogP: 2.98220

Purity/Quality:

METHYL3-PHENYLPROPYLSULFIDE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzene, [3-(methylthio)propyl]-

There total 7 articles about Benzene, [3-(methylthio)propyl]- 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: 94.0%

allylbenzene (300-57-2,57807-91-7) + methylthiol (74-93-1) → methyl 3-phenylpropyl sulfide (87231-07-0)

Guidance literature:

With C₃₈H₂₈Au₂F₁₂FeN₂O₈P₂S₄; In 1,4-dioxane; at 45 ℃; for 20h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/anie.201809051

Reference yield: 75.0%

methyl 3-(methylthio)propionate (13532-18-8) + 1-iodo-3-phenylpropan (4119-41-9) → methyl 3-phenylpropyl sulfide (87231-07-0)

Guidance literature:

With chloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]copper(I); sodium t-butanolate; In 5,5-dimethyl-1,3-cyclohexadiene; at 140 ℃; for 24h; Inert atmosphere;

DOI:10.1039/d2ob00008c

Reference yield: 72.0%

ethylthioacetic acid methyl ester (2432-51-1) + 1-iodo-3-phenylpropan (4119-41-9) → methyl 3-phenylpropyl sulfide (87231-07-0)

Guidance literature:

With potassium phosphate; chloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]copper(I); In 5,5-dimethyl-1,3-cyclohexadiene; at 150 ℃; for 12h; Inert atmosphere;

DOI:10.1080/17415993.2021.1967354

upstream raw materials:

phenethylmagnesium bromide

dimethyl sulfoxide

sulfure de methyle et de 2-chloroethyle

benzyl chloride

Downstream raw materials:

C₁₀H₁₆S

Br^(1-)*C₁₂H₁₇O₂S⁽¹⁺⁾

C₁₂H₂₀O₆P₂S

Refernces

• 1、 Tian, Qingqiang,Sun, Rongjing,Li, Yahui. "Copper-catalyzed thiocarbonylation and thiolation of alkyl iodides". supporting information. p. 1186 - 1190. Retrieved 2022/02/19.
• 2、 Kristensen, Steffan K.,Laursen, Simon L. R.,Taarning, Esben,Skrydstrup, Troels. "Ex Situ Formation of Methanethiol: Application in the Gold(I)-Promoted Anti-Markovnikov Hydrothiolation of Olefins". supporting information. p. 13887 - 13891. Retrieved 2018/10/02.