5-Chloro-2-(methylsulfonamido)benzoic acid

Base Information

• Chemical Name: 5-Chloro-2-(methylsulfonamido)benzoic acid
• CAS No.: 89979-12-4
• Molecular Formula: C8H8ClNO4S
• Molecular Weight: 249.675
• Hs Code.: 2935009090
• European Community (EC) Number: 811-754-2
• Mol file: 89979-12-4.mol

Synonyms:5-chloro-2-(methylsulfonamido)benzoic acid;89979-12-4;5-chloro-2-methanesulfonamidobenzoic acid;5-chloro-2-(methanesulfonamido)benzoic acid;5-chloro-2-[(methylsulfonyl)amino]Benzoic acid;MFCD09047192;5-Chloro-2-(methylsulfonamido)benzoicAcid;SCHEMBL219920;AMY23710;AKOS000131281;MCULE-3123793379;BS-14013;SY015003;DB-078567;CS-0036702;EN300-60480;Z55953121

Chemical Property of 5-Chloro-2-(methylsulfonamido)benzoic acid

Chemical Property:

• PSA: 91.85000
• LogP: 2.56350
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 248.9862566
• Heavy Atom Count: 15
• Complexity: 337

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-2-(methylsulfonamido)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)Cl)C(=O)O

Technology Process of 5-Chloro-2-(methylsulfonamido)benzoic acid

There total 1 articles about 5-Chloro-2-(methylsulfonamido)benzoic acid 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:

→ 5-chloro-2-(methylsulfonamido)benzoic acid (89979-12-4)

Guidance literature:

5-Chlor-2-aminobenzoesaeure, CH3SO2Cl;

Reference yield: 90.0%

5-chloro-2-(methylsulfonamido)benzoic acid (89979-12-4) + 5-chloro-N,6-dimethyl-2-[(1S)-1-(methylamino) propyl]pyrazolo[1,5-a]pyrimidin-7-amine → 5-chloro-N-{(1S)-1-[5-chloro-6-methyl-7-(methylamino)-pyrazolo[1,5-a]pyrimidin-2-yl]propyl}-2-[(methanesulfonyl)-amino]-N-methylbenzamide

Guidance literature:

With N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; trimethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 1h; Reagent/catalyst;

DOI:10.1248/cpb.c19-00895

Reference yield: 90.0%

C15H20N4 (1353628-33-7) + 5-chloro-2-(methylsulfonamido)benzoic acid (89979-12-4) → C23H26ClN5O3S (1353623-44-5)

Guidance literature:

5-chloro-2-(methylsulfonamido)benzoic acid; With HATU; In N,N-dimethyl-formamide; for 1h;

C₁₅H₂₀N₄; With triethylamine; In N,N-dimethyl-formamide; for 5h; Inert atmosphere;

Downstream raw materials:

C₂₃H₂₇ClN₆O₄S

C₂₃H₂₇ClN₆O₃S

C₂₂H₂₅ClN₆O₃S

(S)-N-(4-chloro-2-(2-(5-chloro-7-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl)phenyl)methanesulfonamide

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