3-(Dimethylcarbamoyl)benzene-1-sulfonyl chloride

Base Information

• Chemical Name: 3-(Dimethylcarbamoyl)benzene-1-sulfonyl chloride
• CAS No.: 396733-71-4
• Molecular Formula: C9H10ClNO3S
• Molecular Weight: 0.00000
• European Community (EC) Number: 820-004-3
• Nikkaji Number: J2.565.962G
• Mol file: 396733-71-4.mol

Synonyms:3-(dimethylcarbamoyl)benzene-1-sulfonyl chloride;396733-71-4;3-(Dimethylcarbamoyl)benzenesulfonyl chloride;3-[(dimethylamino)carbonyl]benzenesulfonyl chloride;MFCD09812754;SCHEMBL2822445;BIAIGUIFZWVGJW-UHFFFAOYSA-N;AKOS000164859;BS-14004;3-(Dimethylcarbamoyl)benzenesulfonylchloride;DB-193695;CS-0343326;EN300-39737;G22948;Z285672648;3-(dimethylcarbamoyl)benzene-1-sulfonyl chloride, AldrichCPR

Chemical Property of 3-(Dimethylcarbamoyl)benzene-1-sulfonyl chloride

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 247.0069920
• Heavy Atom Count: 15
• Complexity: 334

Purity/Quality:

97% ^*data from raw suppliers

3-(Dimethylcarbamoyl)benzene-1-sulfonyl chloride 95% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34-43
• Safety Statements: 26-36/37/39-45

MSDS Files:

Useful:

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

Technology Process of 3-(Dimethylcarbamoyl)benzene-1-sulfonyl chloride

There total 1 articles about 3-(Dimethylcarbamoyl)benzene-1-sulfonyl 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: 55.0%

3-chlorosulfonylbenzoyl dichloride (4052-92-0) + dimethyl amine (124-40-3) → 3-[(dimethylamino)carbonyl]benzenesulfonyl chloride (396733-71-4)

Guidance literature:

In tetrahydrofuran; toluene; at 0 - 20 ℃;

Reference yield: 2.0%

3,5-dichloro-4-((S)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(((R)-thiazolidine-2-carbonyl)oxy)ethyl)pyridine 1-oxide hydrochloride (1415994-88-5) + 3-[(dimethylamino)carbonyl]benzenesulfonyl chloride (396733-71-4) → 3,5-dichloro-4-((S)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(((R)-3-((3-(dimethylcarbamoyl)-phenyl)sulfonyl)thiazolidine-2-carbonyl)oxy)ethyl)pyridine 1-oxide

Guidance literature:

With pyridine; at 20 ℃; for 4h;

DOI:10.1021/acs.jmedchem.7b01044

Reference yield:

Methyl 3-aminothiophene-2-carboxylate (22288-78-4) + 3-[(dimethylamino)carbonyl]benzenesulfonyl chloride (396733-71-4) → methyl 3-(3-(dimethylcarbamoyl)phenylsulfonamido)thiophene-2-carboxylate

Guidance literature:

With pyridine; at 20 ℃; for 3h;

upstream raw materials:

3-chlorosulfonylbenzoyl dichloride

dimethyl amine

Downstream raw materials:

3,5-dichloro-4-((S)-2-(4-(difluoromethoxy)-3-hydroxyphenyl)-2-((S)-3-(3-(dimethylcarbamoyl)phenylsulfonyl)-thiazolidine-2-carbonyloxy)ethyl)pyridine 1-oxide

3,5-dichloro-4-((R)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(((S)-3-((3-(dimethylcarbamoyl)-phenyl)sulfonyl)thiazolidine-2-carbonyl)oxy)ethyl)pyridine 1-oxide

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