59815-29-1

Basic information

• Product Name: 3-Chlorosulfonyl-4-isopropylbenzoicacid
• Synonyms: Benzoic acid, 3-(chlorosulfonyl)-4-(1-methylethyl)-
• CAS NO: 59815-29-1
• Molecular Formula: C₁₀H₁₁ClO₄S
• Molecular Weight: 262.71
• Mol File: 59815-29-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 409.4°C at 760 mmHg
• Flash Point: 201.4°C
• Appearance: /
• Density: 1.392g/cm³
• Vapor Pressure: 1.94E-07mmHg at 25°C
• Refractive Index: 1.554
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 3-Chlorosulfonyl-4-isopropylbenzoicacid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Chlorosulfonyl-4-isopropylbenzoicacid(59815-29-1)
• EPA Substance Registry System: 3-Chlorosulfonyl-4-isopropylbenzoicacid(59815-29-1)

Safety Data

• Hazardous Substances Data: 59815-29-1(Hazardous Substances Data)

Usage

General Description

3-Chlorosulfonyl-4-isopropylbenzoic acid is a chemical compound with the molecular formula C11H13ClO4S. It is a white to off-white crystalline powder that is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. 3-Chlorosulfonyl-4-isopropylbenzoicacid possesses a reactive chlorosulfonyl functional group, making it useful for the introduction of the sulfonamide moiety in organic synthesis. Additionally, it has potential applications in the development of new materials and dyes due to its unique chemical properties. 3-Chlorosulfonyl-4-isopropylbenzoic acid must be handled and stored carefully due to its corrosive and irritating nature, and proper protective equipment and handling protocols should be observed when working with this chemical.

InChI:InChI=1/C10H11ClO4S/c1-6(2)8-4-3-7(10(12)13)5-9(8)16(11,14)15/h3-6H,1-2H3,(H,12,13)

Upstream product

• 536-66-3 p-isopropylbenzoic acid 

Downstream Products

• 159139-35-2 3-Methanesulfonyl-4-iso-propylbenzoic Acid 
• 159139-34-1 2-Isopropyl-5-carboxybenzenesulfinic acid 
• 167764-63-8 3-Methylsulfonyl-4-i-propylbenzoyl Chloride 
• 159138-80-4 cariporide 

Relevant articles and documents

COMPOUNDS

The present invention relates to a compound of formula (Ia), or a pharmaceutically acceptable salt or hydrate thereof, wherein: the group X-Y is -NHSO2- or -SO2NH-; R1 is H or alkyl; R2 is selected from COOH and a tetrazolyl group; R3 is selected from H, Cl and alkyl; R4 is selected from H, Cl and F; R5 is selected from H, alkyl, alkynyl, alkenyl, haloalkyl, SO2-alkyl, Cl, alkoxy, OH, CN, hydroxyalkyl, alkylthio, heteroaryl, cycloalkyl, heterocycloalkyl and haloalkoxy; R6 is H; R7 is selected from H, CN, haloalkyl, Cl, F, SO2-alkyl, SO2NR13R14, optionally substituted heteroaryl and alkyl; R8 is selected from H, alkyl, haloalkyl and halo; R9 is H, C1-C3-alkyl, or halo; R10 and R11, together with the nitrogen to which they are attached, form an azepanyl group, wherein (a) said azepanyl group is substituted by one or more substituents, or (b) one or two carbons in said azepanyl group are replaced by a group selected from O, NH, S and CO, and said azepanyl group is optionally further substituted; or R10 and R11, together with the nitrogen to which they are attached, form an azetidinyl, pyrrolidinyl or piperidinyl group wherein (a) said azetidinyl, pyrrolidinyl or piperidinyl group is substituted by one or more substituents, or (b) one or two carbons in said azetidinyl, pyrrolidinyl or piperidinyl group are replaced by a group selected from NH, S and CO; or R10 and R11, together with the nitrogen to which they are attached, form an 8, 9 or 10-membered bicyclic heterocycloalkyl group, wherein one or two carbons in the bicyclic heterocycloalkyl ring are optionally replaced by a group selected from O, NH, S and CO, and said bicyclic heterocycloalkyl group is optionally substituted; or R10 and R11, together with the nitrogen to which they are attached, form a 6 to 12-membered bicyclic group containing a spirocyclic carbon atom, wherein one or two carbons in the bicyclic group are optionally replaced by a group selected from O, NH, S and CO, and said bicyclic group is optionally substituted, or said bicyclic group is optionally fused to a 5 or 6-membered aryl or heteroaryl group; R13 and R14 are each independently H or alkyl. Further aspects of the invention relate to such compounds for use in the field of immune-oncology and related applications.

COMPOUNDS FORTREATMENT OF CARDIOVASCULAR DISEASES

Pharmaceutical compositions containing sodium-hydrogen exchanger type 1 (NHE-1) inhibitors in combination with Ca 2+ overload inhibitors, and the use of such combination inhibitors to treat, for example, cardiovascular disease, such as ischemia, particularly, perioperative myocardial ischemic injury in mammals, including humans, are disclosed.

Benzoylguanidines, pharmaceutical composition containing them and treatment of arrthythmias therewith

Benzoylguanidines, process for their preparation, their use as a medicament and medicament containing them. The invention relates to benzoylguanidines of the formula I STR1 where R(1) or R(2) is R(3)-S(O)n -- or R(4)R(5)N--O2 S-- and