5-tert-Butyl-2-methoxybenzenesulfonyl chloride

Base Information

• Chemical Name: 5-tert-Butyl-2-methoxybenzenesulfonyl chloride
• CAS No.: 88041-83-2
• Molecular Formula: C11H15ClO3S
• Molecular Weight: 262.757
• Hs Code.: 2909309090
• European Community (EC) Number: 843-462-6
• DSSTox Substance ID: DTXSID30528045
• Wikidata: Q82397373
• Mol file: 88041-83-2.mol

Synonyms:88041-83-2;5-tert-Butyl-2-methoxybenzenesulfonyl chloride;5-tert-Butyl-2-methoxy-benzenesulfonyl chloride;5-(tert-Butyl)-2-methoxybenzenesulfonyl Chloride;5-tert-Butyl-2-methoxybenzene-1-sulfonyl chloride;MFCD08457535;5-(tert-Butyl)-2-methoxybenzene-1-sulfonyl chloride;SCHEMBL4944543;3-(1,1-Dimethylethyl)-6-methoxybenzenesulfonyl chloride;DTXSID30528045;MMKJABSTFRSIQT-UHFFFAOYSA-N;AC7064;AKOS000275161;SY211356;5-t-butyl 2-methoxyphenylsulfonyl chloride;CS-0243258;EN300-261631;5-(tert-Butyl)-2-methoxybenzene-1-sulfonylchloride;5-tert-Butyl-2-methoxybenzenesulfonyl chloride, AldrichCPR

Chemical Property of 5-tert-Butyl-2-methoxybenzenesulfonyl chloride

Chemical Property:

• Boiling Point: 351.8±42.0 °C(Predicted)
• PSA: 51.75000
• Density: 1.212±0.06 g/cm3(Predicted)
• LogP: 4.00100
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 262.0430432
• Heavy Atom Count: 16
• Complexity: 326

Purity/Quality:

98% ^*data from raw suppliers

5-tert-Butyl-2-methoxy-benzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

Useful:

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

Technology Process of 5-tert-Butyl-2-methoxybenzenesulfonyl chloride

There total 1 articles about 5-tert-Butyl-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:

1-(tert-butyl)-4-methoxybenzene (5396-38-3) → 3-(1,1-dimethylethyl)-6-methoxybenzenesulfonyl chloride (88041-83-2)

Guidance literature:

With chlorosulfonic acid; In dichloromethane; a) from 0 deg C to 5 deg C, 1 h, b) RT, 1 h;

DOI:10.1080/00397919408012644

Reference yield: 60.0%

3-(1,1-dimethylethyl)-6-methoxybenzenesulfonyl chloride (88041-83-2) → 5-tert-butyl-2-methoxy-benzenesulfonamide (88085-79-4)

Guidance literature:

With ammonium hydroxide; In acetonitrile; for 16h; Ambient temperature;

DOI:10.1080/00397919408012644

Reference yield:

sulfuric acid (7664-93-9) + 3-(1,1-dimethylethyl)-6-methoxybenzenesulfonyl chloride (88041-83-2) → 5-(tert-butyl)-2-methoxy-3-nitrobenzene-1-sulfonyl chloride (123221-94-3)

Guidance literature:

With potassium nitrate; In dichloromethane; water;

upstream raw materials:

1-(tert-butyl)-4-methoxybenzene

Downstream raw materials:

5-tert-butyl-2-methoxy-benzenesulfonamide

2-hydroxybenzenesulfonamide

5-(tert-butyl)-2-methoxy-3-nitrobenzene-1-sulfonyl chloride

Refernces

• 1、 Drygala,Kirby,Watson. "A convenient synthesis of 2-hydroxybenzenesulfonamide". . p. 671 - 675. Retrieved 2007/10/02.
• 2、 -. "2-aminomethyl-6-sulfamoylphenol derivatives, a process for their preparation and their use and also pharmaceutical formulations based on these compounds". . . Retrieved 2008/06/13.