1-Chloro-4-(ethylsulfonyl)benzene

Base Information

• Chemical Name: 1-Chloro-4-(ethylsulfonyl)benzene
• CAS No.: 7205-80-3
• Molecular Formula: C8H9ClO2S
• Molecular Weight: 204.677
• Hs Code.: 2904909090
• European Community (EC) Number: 230-577-6
• UNII: HFY9Q8L2F3
• DSSTox Substance ID: DTXSID80222384
• Nikkaji Number: J227.441H
• Wikidata: Q72456935
• Mol file: 7205-80-3.mol

Synonyms:1-chloro-4-(ethylsulfonyl)benzene;7205-80-3;1-chloro-4-ethylsulfonylbenzene;4-chlorophenyl ethyl sulfone;1-Chloro-4-(ethylsulphonyl)benzene;1-chloro-4-(ethanesulfonyl)benzene;Benzene, 1-chloro-4-(ethylsulfonyl)-;1-Chloro-4-ethanesulfonyl-benzene;EINECS 230-577-6;4-ETHYLSULFONYLCHLOROBENZENE;p-Chlorophenyl ethyl sulfone;HFY9Q8L2F3;Sulfone, p-chlorophenyl ethyl;Ethyl(4-chlorophenyl) sulfone;SCHEMBL198600;1-Chloro-4-ethanesulfonylbenzene;DTXSID80222384;1-chloro-4-(ethylsulfonyl)-benzene;STK129511;AKOS003293270;CS-0299631;FT-0658471;EN300-95340;A1-04255;W-104503

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

Chemical Property:

• Vapor Pressure: 0.000171mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 340.3 °C at 760 mmHg
• Flash Point: 159.6 °C
• PSA: 42.52000
• Density: 1.281 g/cm³
• LogP: 3.21440
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 204.0011784
• Heavy Atom Count: 12
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

1-Chloro-4-ethanesulfonylbenzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)(=O)C1=CC=C(C=C1)Cl

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

There total 15 articles about 1-Chloro-4-(ethylsulfonyl)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: 95.0%

p-chlorophenyl ethyl sulfide (5120-72-9) → 1-(ethylsulfonyl)-4-chlorobenzene (7205-80-3)

Guidance literature:

With oxygen; layered double hydroxide-OsO₄; In phosphate buffer; tert-butyl alcohol; at 55 ℃; for 15h; under 750.06 Torr; pH=10.4;

DOI:10.1039/b212749k

Reference yield: 89.3%

ethyl bromide (74-96-4) + sodium p-chlorobenzenesulphinate (14752-66-0) + 4-methyl-2-pentanone (108-10-1) → 1-(ethylsulfonyl)-4-chlorobenzene (7205-80-3)

Guidance literature:

With potassium carbonate; In water;

Reference yield: 67.0%

p-chlorophenyl ethyl sulfide (5120-72-9) → 1-(ethylsulfonyl)-4-chlorobenzene (7205-80-3) + ethyl (4-chloro)phenyl sulfoxide (7205-69-8)

Guidance literature:

With immobilised lipase B from Candida antarctica; urea hydrogen peroxide adduct; ethyl acetate; at 37 ℃; for 24h; chemoselective reaction; Enzymatic reaction;

DOI:10.1039/d0ob01966f

upstream raw materials:

sodium p-chlorobenzenesulphinate

ethyl iodide

p-chlorophenyl ethyl sulfide

(4-Chlor-Δ^3.4-cyclohexenyl)-aethyl-sulfon

Downstream raw materials:

4-ethanesulfonyl-N,N-dimethyl-aniline

3-((4-chlorophenyl)thio)-2-phenylimidazo[1,2-α]pyridine

(4-Aminophenyl)-aethyl-sulfon

(4-Ethanesulfonyl-2-nitro-phenyl)-methyl-amine

Refernces

• 1、 Sun, Jian,Mu, Yangxiu,Iqbal, Zafar,Hou, Jing,Yang, Minghua,Yang, Zhixiang,Tang, Dong. "Iodine-Mediated Sulfenylation of Imidazo[1,2- a ]pyridines with Ethyl Arylsulfinates". supporting information. p. 1014 - 1018. Retrieved 2021/03/15.
• 2、 -. "COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREAST CANCER". Paragraph 0109; 0112. . Retrieved 2018/10/21.