4-tert-Butylphenyl ethyl sulfide

Base Information

• Chemical Name: 4-tert-Butylphenyl ethyl sulfide
• CAS No.: 30506-33-3
• Molecular Formula: C12H18S
• Molecular Weight: 194.341
• DSSTox Substance ID: DTXSID701265371
• Mol file: 30506-33-3.mol

Synonyms:4-tert-Butylphenyl ethyl sulfide;30506-33-3;SCHEMBL13220841;DTXSID701265371;1-tert-butyl-4-ethylsulfanylbenzene;AKOS006317709;1-(1,1-Dimethylethyl)-4-(ethylthio)benzene;1-TERT-BUTYL-4-(ETHYLSULFANYL)BENZENE

Chemical Property of 4-tert-Butylphenyl ethyl sulfide

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 194.11292175
• Heavy Atom Count: 13
• Complexity: 138

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=CC=C(C=C1)C(C)(C)C

Technology Process of 4-tert-Butylphenyl ethyl sulfide

There total 8 articles about 4-tert-Butylphenyl ethyl 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: 98.0%

ethyl iodide (75-03-6) + 4-t-butylbenzenethiol (2396-68-1) → 1-ethylsulfanyl-4-(1,1-dimethylethyl)benzene (30506-33-3)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; for 12h;

DOI:10.1021/acs.joc.0c01570

Reference yield: 94.0%

1-bromo-4-tert-butylbenzene (3972-65-4) + ethanethiol (75-08-1) → 1-ethylsulfanyl-4-(1,1-dimethylethyl)benzene (30506-33-3)

Guidance literature:

ethanethiol; With sodium hydroxide;

1-bromo-4-tert-butylbenzene; With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In xylene; at 140 ℃; for 24h;

DOI:10.1016/j.tet.2005.03.078

Reference yield: 80.0%

ethyl bromide (74-96-4) + NaSph-4-Cme3 (54166-35-7) → 1-ethylsulfanyl-4-(1,1-dimethylethyl)benzene (30506-33-3)

Guidance literature:

With sodium methylate; In methanol; Heating;

DOI:10.1021/jo00179a033

upstream raw materials:

ethyl bromide

NaSph-4-Cme₃

4-t-butylbenzenethiol

4-tert-butylbenzenesulfonyl chloride

Downstream raw materials:

Ethyl 4-tert-Butylphenyl Sulfone

Ethyl 4-tert-Butylphenyl Sulfoxide

ethene

phenyl p-(tert-butyl)phenyl sulfide

Refernces

• 1、 Sakai, Norio,Maeda, Hiromu,Ogiwara, Yohei. "Copper-Catalyzed Three-Component Coupling Reaction of Aryl Iodides, a Disilathiane, and Alkyl Benzoates Leading to a One-Pot Synthesis of Alkyl Aryl Sulfides". . p. 2323 - 2330. Retrieved 2019/05/24.
• 2、 Mispelaere-Canivet, Clotilde,Spindler, Jean-Francis,Perrio, Stéphane,Beslin, Pierre. "Pd2(dba)3/Xantphos-catalyzed cross-coupling of thiols and aryl bromides/triflates". . p. 5253 - 5259. Retrieved 2007/10/03.