4-Methoxy-2,5-dimethylbenzenesulfonyl chloride

Base Information

• Chemical Name: 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride
• CAS No.: 91179-12-3
• Molecular Formula: C₉H₁₁ClO₃S
• Molecular Weight: 234.704
• DSSTox Substance ID: DTXSID70348704
• Wikidata: Q82123668
• Mol file: 91179-12-3.mol

Synonyms:91179-12-3;4-methoxy-2,5-dimethylbenzenesulfonyl chloride;4-methoxy-2,5-dimethylbenzene-1-sulfonyl chloride;4-Methoxy-2,5-dimethyl-benzenesulfonyl chloride;MFCD08688025;2,5-Dimethyl-4-methoxybenzenesulfonyl chloride;SCHEMBL641185;DTXSID70348704;AKOS000272851;BS-36425;EN300-45224;4-methoxy-2,5-dimethylbenzene-1-sulfonylchloride;benzenesulfonyl chloride, 4-methoxy-2,5-dimethyl-;F3308-2753

Chemical Property of 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride

Chemical Property:

• PSA: 51.75000
• LogP: 3.32030
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 234.0117431
• Heavy Atom Count: 14
• Complexity: 283

Purity/Quality:

98%min ^*data from raw suppliers

4-Methoxy-2,5-dimethyl-benzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1S(=O)(=O)Cl)C)OC

Technology Process of 4-Methoxy-2,5-dimethylbenzenesulfonyl chloride

There total 2 articles about 4-Methoxy-2,5-dimethylbenzenesulfonyl 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:

2,5-Dimethyl-anisol (1706-11-2) → 4-Methoxy-2,5-dimethyl-benzol-sulfonyl-(1)-chlorid (91179-12-3)

Guidance literature:

With chlorosulfonic acid;

DOI:10.1016/S0040-4020(01)99193-8

Reference yield:

→ 4-Methoxy-2,5-dimethyl-benzol-sulfonyl-(1)-chlorid (91179-12-3)

Guidance literature:

2,5-Dimethyl-anisol, Chlorsulfonsaeure, Chlf.;

Reference yield:

4-Methoxy-2,5-dimethyl-benzol-sulfonyl-(1)-chlorid (91179-12-3) → 2,5-dimethyl-4-methoxythiophenol (84911-00-2)

Guidance literature:

With sulfuric acid; zinc;

DOI:10.1016/S0040-4020(01)99193-8

upstream raw materials:

2,5-Dimethyl-anisol

Downstream raw materials:

2,5-dimethyl-4-methoxythiophenol

4-Methoxy-2,5-dimethyl-benzol-sulfonamid-⁽¹⁾

4-methoxy-2,5-dimethylphenyl methyl sulphide

Refernces