2,4-Dimethoxybenzenesulfonyl chloride

Base Information

• Chemical Name: 2,4-Dimethoxybenzenesulfonyl chloride
• CAS No.: 63624-28-2
• Molecular Formula: C8H9ClO4S
• Molecular Weight: 236.676
• Hs Code.: 29093090
• DSSTox Substance ID: DTXSID90370406
• Nikkaji Number: J2.536.159H
• Wikidata: Q82157595
• Mol file: 63624-28-2.mol

Synonyms:2,4-Dimethoxybenzenesulfonyl chloride;63624-28-2;2,4-Dimethoxybenzene-1-Sulfonyl Chloride;Benzenesulfonyl chloride, 2,4-dimethoxy-;2,4-dimethoxyphenylsulfonyl chloride;MFCD00060683;2,4-dimethoxybenzenesulphonyl chloride;2,4-dimethoxy benzenesulfonyl chloride;SCHEMBL74997;DTXSID90370406;AYGZKRRIULCJKC-UHFFFAOYSA-N;BBL017933;GEO-01133;STK502395;2,4-dimethoxy-phenylsulfonyl chloride;AKOS000200512;2,4-Dimethoxy-benzenesulfonyl chloride;2,4-dimethoxy-benzenesulphonyl chloride;2,4-Dimethoxybenzene-1-SulfonylChloride;2,4-dimethoxybenzene-1 sulfonyl chloride;BP-11208;DS-14656;2,4 dimethoxybenzene sulfonic acid chloride;2,4-dimethoxybenzene sulfonic acid chloride;2.4-dimethoxybenzene sulfonic acid chloride;2,4-Dimethoxybenzenesulfonyl chloride, 97%;AM20040927;CS-0007577;FT-0610135;EN300-11307;A24492;J-507233;F2169-1115;AKOS B019391;Benzenesulfonyl chloride, 2,4-dimethoxy- (9CI)

Chemical Property of 2,4-Dimethoxybenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: powder
• Vapor Pressure: 3.74E-05mmHg at 25°C
• Melting Point: 69-71 °C
• Refractive Index: 1.522
• Boiling Point: 363.6 °C at 760 mmHg
• Flash Point: 173.7 °C
• PSA: 60.98000
• Density: 1.359 g/cm³
• LogP: 2.71210
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 235.9910076
• Heavy Atom Count: 14
• Complexity: 272

Purity/Quality:

99.9% ^*data from raw suppliers

2,4-Dimethoxybenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xi
• Hazard Codes: C,Xi
• Statements: 34-43
• Safety Statements: 45-36/37/39-3-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)S(=O)(=O)Cl)OC

Technology Process of 2,4-Dimethoxybenzenesulfonyl chloride

There total 4 articles about 2,4-Dimethoxybenzenesulfonyl 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: 92.0%

potassium 2, 4-dimethoxybenzenesulfonate → 2,4-dimethoxybenzenesulfonylchloride (63624-28-2)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.6b01540

Reference yield: 75.0%

→ 2,4-dimethoxybenzenesulfonylchloride (63624-28-2)

Guidance literature:

Reference yield:

1,3-Dimethoxybenzene (151-10-0) → 2,4-dimethoxybenzenesulfonylchloride (63624-28-2)

Guidance literature:

With chlorosulphuric acid; chloroform;

DOI:10.1021/ja01860a049

upstream raw materials:

1,3-Dimethoxybenzene

Downstream raw materials:

3-Amino-5-chloro-1,3-dihydro-1-(2,4-dimethoxybenzenesulfonyl)-3-phenylindol-2-one

5-cyano-1-(2,4-dimethoxy-benzenesulfonyl)-3-hydroxy-3-(2-ethoxy-phenyl)-indol-2-one

Nelivaptan

C₃₀H₃₂ClN₃O₈S

Refernces

• 1、 Tso, Shih-Chia,Lou, Mingliang,Wu, Cheng-Yang,Gui, Wen-Jun,Chuang, Jacinta L.,Morlock, Lorraine K.,Williams, Noelle S.,Wynn, R. Max,Qi, Xiangbing,Chuang, David T.. "Development of Dihydroxyphenyl Sulfonylisoindoline Derivatives as Liver-Targeting Pyruvate Dehydrogenase Kinase Inhibitors". . p. 1142 - 1150. Retrieved 2017/02/19.
• 2、 -. "N-substituted 2,4-dialkoxy benzenesulfonamides and pharmaceutical compositions". . . Retrieved 2008/06/13.