4-Ethoxybenzenesulfonyl chloride

Base Information

• Chemical Name: 4-Ethoxybenzenesulfonyl chloride
• CAS No.: 1132-17-8
• Molecular Formula: C8H9ClO3S
• Molecular Weight: 220.677
• Hs Code.: 2909309090
• European Community (EC) Number: 675-165-0
• DSSTox Substance ID: DTXSID40395068
• Nikkaji Number: J148.288B
• Wikidata: Q72471296
• Mol file: 1132-17-8.mol

Synonyms:4-ethoxybenzenesulfonyl chloride;1132-17-8;4-Ethoxy-benzenesulfonyl chloride;4-ethoxybenzene-1-sulfonyl chloride;MFCD03147322;4-ethoxybenzenesulfonylchloride;4-Ethoxy-benzenesulfonylchloride;p-Ethoxybenzenesulfonyl chloride;SCHEMBL1169534;DTXSID40395068;XIWSSFMVSKKXRJ-UHFFFAOYSA-N;4-ethoxy benzene sulfonyl chloride;4-ethoxybenzene-1-sulfonylchloride;4-(ethyloxy)benzenesulfonyl chloride;BBL013891;STK346928;AKOS000115114;BS-13807;SY080018;4-Ethoxybenzenesulfonyl chloride, AldrichCPR;BB 0219410;FT-0654673;EN300-01719;Z96092029;F0808-2033

Chemical Property of 4-Ethoxybenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.000375mmHg at 25°C
• Boiling Point: 327.9oC at 760 mmHg
• Flash Point: 152.1oC
• PSA: 51.75000
• Density: 1.324g/cm3
• LogP: 3.09360
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.9960930
• Heavy Atom Count: 13
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

4-Ethoxybenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)Cl

Technology Process of 4-Ethoxybenzenesulfonyl chloride

There total 9 articles about 4-Ethoxybenzenesulfonyl chloride 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: 74.0%

Phenetole (103-73-1) → 4-ethoxybenzenesulphonyl chloride (1132-17-8)

Guidance literature:

With chlorosulfonic acid; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1021/jm050645f

Reference yield: 53.0%

chlorosulfonic acid (7790-94-5) + Phenetole (103-73-1) → 4-ethoxybenzenesulphonyl chloride (1132-17-8)

Guidance literature:

In dichloromethane; for 2h;

DOI:10.1016/j.bmc.2015.09.024

Reference yield:

4-ethoxybenzenesulfonic acid sodium salt → 4-ethoxybenzenesulphonyl chloride (1132-17-8)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 20 - 80 ℃; for 26.5h; Inert atmosphere; Large scale;

DOI:10.1021/op050066k

upstream raw materials:

Phenetole

sodium p-hydroxybenzenesulfonate

phenol

chlorosulfonic acid

Downstream raw materials:

1-(4-ethoxy-benzenesulfonyl)-piperidine

4-ethoxy-benzenesulfonic acid anilide

1-(4-Ethoxy-benzenesulfonyl)-5-fluoro-1H-pyrimidine-2,4-dione

Refernces

• 1、 Ghosh,Saha,Sarker,Mishra,Sen. "Design, synthesis, molecular docking and in vitro evaluation of n -(4-ethoxyphenylsulfonyl)pyrrolidine-2-carboxylic acid analogues as antiangiogenic and anticancer agents on multiple myeloma". . p. 727 - 733. Retrieved 2021/04/09.
• 2、 Cheng, Jiawei,Cheng, Maosheng,Jiang, Hailun,Lin, Xincheng,Wang, Jian,Wang, Xuejun,Wu, Yuming,Zhang, Yaoliang. "Identification and in Silico Binding Study of a Highly Potent DENV NS2B-NS3 Covalent Inhibitor". supporting information. . Retrieved 2022/03/31.