Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-

Base Information

• Chemical Name: Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-
• CAS No.: 68039-14-5
• Molecular Formula: C10H12ClNO4S
• Molecular Weight: 277.729
• European Community (EC) Number: 268-233-2
• DSSTox Substance ID: DTXSID4071007
• Nikkaji Number: J64.438B
• Wikidata: Q81998483
• Mol file: 68039-14-5.mol

Synonyms:68039-14-5;4-Acetamido-5-methoxy-2-methylbenzenesulphonyl chloride;Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-;EINECS 268-233-2;4-Acetylamino-5-methoxy-2-methylbenzenesulfonyl chloride;SCHEMBL9018861;DTXSID4071007;W-111318;4-Acetylamino-3-methoxy-6-methylbenzenesulfonyl chloride

Chemical Property of Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-

Chemical Property:

• Vapor Pressure: 1.42E-07mmHg at 25°C
• Boiling Point: 429.3°Cat760mmHg
• Flash Point: 213.4°C
• PSA: 84.34000
• Density: 1.392g/cm³
• LogP: 3.61980
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 277.0175567
• Heavy Atom Count: 17
• Complexity: 378

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-

There total 1 articles about Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl- 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:

N-(2-methoxy-5-methylphenyl)acetamide (6962-44-3) → 5-acetylamino-4-methoxy-toluene-2-sulfonyl chloride (68039-14-5)

Guidance literature:

With chlorosulphuric acid;

Reference yield: 100.0%

5-acetylamino-4-methoxy-toluene-2-sulfonyl chloride (68039-14-5) + potassium phtalimide (1074-82-4) → N-(2-methyl-4-acylamino-5-methoxybenzenesulphonyl)phthalimide

Guidance literature:

With 18-crown-6 ether; In toluene; at 85 ℃; for 0.833333h;

Reference yield: 93.0%

5-acetylamino-4-methoxy-toluene-2-sulfonyl chloride (68039-14-5) + 4-nitrophthalimide potassium salt (5330-05-2) → N-(2-methyl-4-acylamino-5-methoxybenzenesulphonyl)-4-nitrophthalimide

Guidance literature:

With 18-crown-6 ether; In toluene; at 85 ℃; for 1h;

upstream raw materials:

N-(2-methoxy-5-methylphenyl)acetamide

Downstream raw materials:

5-acetylamino-4-methoxy-toluene-2-sulfonic acid amide

5-amino-4-methoxy-toluene-2-sulfonic acid diethylamide

5-amino-4-methoxy-toluene-2-sulfonic acid butylamide

5-amino-4-methoxy-toluene-2-sulfonic acid-(3,5-bis-trifluoromethyl-anilide)

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