2-Methoxybenzenesulfonyl chloride

Base Information

• Chemical Name: 2-Methoxybenzenesulfonyl chloride
• CAS No.: 10130-87-7
• Molecular Formula: C7H7ClO3S
• Molecular Weight: 206.65
• Hs Code.: 2909309090
• European Community (EC) Number: 800-005-5
• DSSTox Substance ID: DTXSID40395846
• Nikkaji Number: J1.058.128A
• Wikidata: Q72517985
• Mol file: 10130-87-7.mol

Synonyms:2-Methoxybenzenesulfonyl chloride;10130-87-7;2-Methoxy-benzenesulfonyl chloride;2-methoxybenzene-1-sulfonyl chloride;2-Methoxybenzenesulfonylchloride;MFCD01961367;Benzenesulfonyl chloride, methoxy-;o-Anisolesulfonyl chloride;methoxyphenylsulfonyl chloride;SCHEMBL74380;2-methoxybenzensulfonylchloride;2-methoxyphenylsulfonyl chloride;2-methoxybenzenesulphonylchloride;2-methoxybenzene sulfonylchloride;DTXSID40395846;GYOBZOBUOMDRRN-UHFFFAOYSA-N;Benzenesulfonylchloride,2-methoxy-;2-methoxybenzene-sulphonyl chloride;BCP26066;2-(methyloxy)benzenesulfonyl chloride;BBL103619;Benzenesulfonyl chloride, 2-methoxy-;STL557429;2-Methoxybenzenesulfonic acid chloride;AKOS000505690;AM90419;AS-7032;CS-W007645;2-METHOXYBENZENE SULFONYL CHLORIDE;SY026649;BB 0216551;FT-0647552;EN300-05954;2-methoxybenzene sulfonyl chloride, AldrichCPR;A897198;J-509852;Z56911956;F2167-0058;2-Methoxybenzene-1-sulfonyl chloride

Chemical Property of 2-Methoxybenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.00152mmHg at 25°C
• Melting Point: 50-54 °C
• Refractive Index: 1.535
• Boiling Point: 305.1 °C at 760 mmHg
• Flash Point: 138.3 °C
• PSA: 51.75000
• Density: 1.376 g/cm³
• LogP: 2.70350
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Moisture Sensitive
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.9804429
• Heavy Atom Count: 12
• Complexity: 232

Purity/Quality:

≥95% ^*data from raw suppliers

2-MethoxybenzenesulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:
• Hazard Codes: Xi
• Statements: 34-43
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1S(=O)(=O)Cl
• Uses: For synthesis and pharmacological evaluation of sulfonamide derivatives of thiazolidin-4-ones 5-Bromo-2-methoxybenzenesulfonyl chloride is used.

Technology Process of 2-Methoxybenzenesulfonyl chloride

There total 10 articles about 2-Methoxybenzenesulfonyl 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: 95.0%

2-Methoxybenzenethiol (7217-59-6) → o-Methoxybenzenesulfonyl chloride (10130-87-7)

Guidance literature:

With N-chloro-succinimide; isopropyl alcohol; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1016/j.tetlet.2017.04.087

Reference yield: 82.0%

2-Methoxyphenylboronic acid (5720-06-9) → o-Methoxybenzenesulfonyl chloride (10130-87-7)

Guidance literature:

With phenylchlorosulfate; C₄₃H₄₃NO₃PPdS; sodium carbonate; In acetone; at 50 ℃; for 12h; Reagent/catalyst;

DOI:10.1021/ja405949a

Reference yield: 81.0%

methoxybenzene (100-66-3) → o-Methoxybenzenesulfonyl chloride (10130-87-7)

Guidance literature:

methoxybenzene; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; sulfur dioxide; In diethyl ether; at -78 - 20 ℃; for 1h;

With sulfuryl dichloride; In diethyl ether; at 20 ℃; for 6h;

DOI:10.1002/anie.200352634

upstream raw materials:

ortho-methoxybenzenesulfinic acid

2-methoxybenzenediazonium chloride

2-methoxyphenylmagnesium chloride

2-methoxy-phenylamine

Downstream raw materials:

1-benzenesulfonyl-2-methoxy-benzene

C₃₂H₃₀N₈O₈S₅

4-methoxyphenyl-3-sulfonic acid

bis-(2-methoxy-phenyl)-sulfone

Refernces

• 1、 -. "Preparation method of 3-acetylindole BRPF1 inhibitor and use of 3-acetylindole BRPF1 inhibitor". Paragraph 0074; 0075; 0120-0122. . Retrieved 2020/03/03.
• 2、 Debergh, J. Robb,Niljianskul, Nootaree,Buchwald, Stephen L.. "Synthesis of aryl sulfonamides via palladium-catalyzed chlorosulfonylation of arylboronic acids". . p. 10638 - 10641. Retrieved 2013/08/23.