4-Methoxybenzenesulfonyl chloride

Base Information

• Chemical Name: 4-Methoxybenzenesulfonyl chloride
• CAS No.: 98-68-0
• Molecular Formula: C7H7ClO3S
• Molecular Weight: 206.65
• Hs Code.: 29093090
• European Community (EC) Number: 202-692-1
• NSC Number: 403292
• DSSTox Substance ID: DTXSID50243364
• Nikkaji Number: J38.357K
• Wikidata: Q72489114
• Mol file: 98-68-0.mol

Synonyms:4-methoxybenzenesulfonyl chloride

Chemical Property of 4-Methoxybenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: white to beige crystalline solid
• Vapor Pressure: 0.0008mmHg at 25°C
• Melting Point: 39-42 °C(lit.)
• Refractive Index: 1.535
• Boiling Point: 315.6 °C at 760 mmHg
• Flash Point: 144.7 °C
• PSA: 51.75000
• Density: 1.376 g/cm³
• LogP: 2.70350
• Storage Temp.: 0-6°C
• Sensitive.: Moisture Sensitive
• Solubility.: DMSO (Slightly)
• Water Solubility.: decomposes
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.9804429
• Heavy Atom Count: 12
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

4-Methoxybenzenesulfonyl Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-29
• Safety Statements: 26-36/37/39-45-28A-27

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)S(=O)(=O)Cl
• Uses: 4-Methoxybenzenesulfonyl chloride is used as an anti-HIV as Pharmaceutical Intermediates. It also acts as protecting group agent for various nitrogen functions.

Technology Process of 4-Methoxybenzenesulfonyl chloride

There total 33 articles about 4-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: 98.1%

methylthiocarbamic acid S-(4-methoxyphenyl)ester → 4-methoxy-phenyl-sulphonyl chloride (98-68-0)

Guidance literature:

With hydrogenchloride; N-chloro-succinimide; In acetonitrile; at 10 ℃;

DOI:10.1055/s-2006-950353

Reference yield: 98.0%

4-methoxybenzenesulfonyl hydrazide (1950-68-1) → 4-methoxy-phenyl-sulphonyl chloride (98-68-0)

Guidance literature:

With N-chloro-succinimide; In acetonitrile; at 20 ℃; for 2h;

DOI:10.3390/molecules26185551

Reference yield: 97.7%

S-(4-methoxyphenyl) ethanethioate (60787-31-7) → 4-methoxy-phenyl-sulphonyl chloride (98-68-0)

Guidance literature:

With hydrogenchloride; N-chloro-succinimide; In acetonitrile; at 10 ℃;

DOI:10.1055/s-2006-950353

upstream raw materials:

para-methoxyphenyldiazonium chloride

methoxybenzene

1-bromo-4-methoxy-benzene

(p-methoxyphenyl)tri-n-butylstannane

Downstream raw materials:

1-(4-methoxybenzenesulfonyl)-piperidine

1-ethyl-4-(4-methoxy-benzenesulfonyl)-piperazine

4-methoxy-benzenesulfonic acid-(4,6-dimethyl-pyrimidin-2-ylamide)

4-methoxy-benzenesulfonic acid-(5-methyl-[1,3,4]thiadiazol-2-ylamide)

Refernces

• 1、 Chardin,Durand,Jarsalé,Rouden,Livi,Baudoux. "Sulfonimidesversusketosulfonamides as epoxidized imidazolium counterions: Towards a new generation of ionic liquid monomers". supporting information. p. 2953 - 2957. Retrieved 2021/02/26.
• 2、 Antonietti, Markus,Guldi, Dirk M.,Markushyna, Yevheniia,Savateev, Aleksandr,Schü?lbauer, Christoph M.,Ullrich, Tobias. "Chromoselective Synthesis of Sulfonyl Chlorides and Sulfonamides with Potassium Poly(heptazine imide) Photocatalyst". supporting information. p. 20543 - 20550. Retrieved 2021/08/12.