1-Chloro-4-(isopropylsulfanyl)benzene

Base Information

• Chemical Name: 1-Chloro-4-(isopropylsulfanyl)benzene
• CAS No.: 7205-62-1
• Molecular Formula: C9H11ClS
• Molecular Weight: 186.705
• European Community (EC) Number: 809-805-9
• DSSTox Substance ID: DTXSID90415881
• Nikkaji Number: J1.942.917B
• Wikidata: Q82224936
• Mol file: 7205-62-1.mol

Synonyms:1-Chloro-4-(isopropylsulfanyl)benzene;7205-62-1;1-chloro-4-(isopropylthio)benzene;Benzene, 1-chloro-4-[(1-methylethyl)thio]-;1-chloro-4-(propan-2-ylsulfanyl)benzene;Benzene, 1-chloro-4-((1-methylethyl)thio)-;1-chloro-4-propan-2-ylsulfanylbenzene;SCHEMBL216701;DTXSID90415881;(4-Chlorophenyl)isopropyl sulfide;ZWKPKISWPZWKLB-UHFFFAOYSA-N;(4-Chlorophenyl)(isopropyl)sulfane;MFCD12973572;BS-45779;SY293233;CS-0455159;E86644;InChI=1/C9H11ClS/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,1-2H

Chemical Property of 1-Chloro-4-(isopropylsulfanyl)benzene

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 186.0269992
• Heavy Atom Count: 11
• Complexity: 106

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)SC1=CC=C(C=C1)Cl

Technology Process of 1-Chloro-4-(isopropylsulfanyl)benzene

There total 9 articles about 1-Chloro-4-(isopropylsulfanyl)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: 85.0%

para-dichlorobenzene (106-46-7,84348-21-0) + sodium isopropanethiolate (20607-43-6) → 1-chloro-4-(isopropylthio)benzene (7205-62-1)

Guidance literature:

In N,N,N,N,N,N-hexamethylphosphoric triamide; at 100 ℃; for 0.5h;

DOI:10.1055/s-1982-29843

Reference yield: 78.0%

4,4'-dichlorodiphenyl disulfide (1142-19-4) + isopropyl bromide (75-26-3) → 1-chloro-4-(isopropylthio)benzene (7205-62-1)

Guidance literature:

With water; rongalite; potassium carbonate; In N,N-dimethyl-formamide; for 0.333333h;

DOI:10.1055/s-2006-950363

Reference yield: 43.0%

para-dichlorobenzene (106-46-7,84348-21-0) + 2-propanethiol (75-33-2) → 1-chloro-4-(isopropylthio)benzene (7205-62-1) + 1,4-Bisbenzene (70398-85-5)

Guidance literature:

With potassium hydroxide; perhydrodibenzo-18-crown-6; In water; at 110 ℃; for 150h; Yields of byproduct given;

DOI:10.1021/jo00152a039

upstream raw materials:

2-iodo-propane

(E)-2-<(4-Chlorphenylthio)methylen>-6,6-dimethylcyclohexanon

para-dichlorobenzene

sodium isopropanethiolate

Downstream raw materials:

p-(isopropylthio)phenyl isopropyl selenide

1-Butyl-4-isopropylsulfanyl-benzene

1-(isopropylthio)-4-methylbenzene

isopropylthiobenzene

Refernces

• 1、 Tang, Ri-Yuan,Zhong, Ping,Lin, Qiu-Lian. "Sulfite-promoted one-pot synthesis of sulfides by reaction of aryl disulfides with alkyl halides". . p. 85 - 91. Retrieved 2007/12/31.
• 2、 Loubinoux,Schneider. "Synthesis of α-chloroalkyl ethers from phenols". . p. 2343 - 2347. Retrieved 2007/10/02.