4-Isopropylbenzenesulfonyl chloride

Base Information

• Chemical Name: 4-Isopropylbenzenesulfonyl chloride
• CAS No.: 54997-90-9
• Molecular Formula: C9H11ClO2S
• Molecular Weight: 218.704
• Hs Code.: 29049090
• European Community (EC) Number: 629-255-1
• DSSTox Substance ID: DTXSID40370552
• Nikkaji Number: J578.941I
• Wikidata: Q72485772
• Mol file: 54997-90-9.mol

Synonyms:4-Isopropylbenzenesulfonyl chloride;54997-90-9;4-isopropylbenzene-1-sulfonyl chloride;4-propan-2-ylbenzenesulfonyl Chloride;4-IsopropylbenzenesulfonylChloride;4-isopropyl benzenesulfonyl chloride;Benzenesulfonyl chloride, 4-(1-methylethyl)-;4-(propan-2-yl)benzenesulfonyl chloride;p-Isopropylbenzenesulfonyl chloride;4-iso-propylbenzenesulfonyl chloride;4-isopropylbenzenesulphonyl chloride;MFCD00041510;4-isopropylbenzensulfonylchloride;4-(Propan-2-Yl)Benzene-1-Sulfonyl Chloride;4-isopropylphenylsulfonyl chloride;4-isopropyl-benzenesulfonylchloride;4-isopropyl-phenylsulfonyl chloride;4-Isopropyl-benzenesulfonyl chloride;SCHEMBL343985;AMY834;4-isopropyl-benzensulfonylchloride;DTXSID40370552;4-isopropyl-benzene sulfonylchloride;BBL013803;STK500498;4-Isopropyl-benzene-sulfonyl chloride;4-isopropyl benzene sulphonyl chloride;AKOS000200662;FS-3873;4-isopropylbenzenesulfonic acid chloride;4-(1-methylethyl)benzenesulfonyl chloride;CS-0154277;FT-0618833;EN300-05198;4-Isopropylbenzenesulfonyl chloride, technical grade;J-515601;F9995-2519

Chemical Property of 4-Isopropylbenzenesulfonyl chloride

Chemical Property:

• Appearance/Colour: clear yellow to orange liquid
• Vapor Pressure: 0.00568mmHg at 25°C
• Melting Point: 51-52 °C
• Refractive Index: n20/D 1.5410(lit.)
• Boiling Point: 282.6 °C at 760 mmHg
• Flash Point: 124.7 °C
• PSA: 42.52000
• Density: 1.241 g/cm³
• LogP: 3.81830
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Moisture Sensitive
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.0168285
• Heavy Atom Count: 13
• Complexity: 245

Purity/Quality:

99% ^*data from raw suppliers

4-Isopropylbenzenesulfonyl chloride, tech ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-29
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC=C(C=C1)S(=O)(=O)Cl
• Uses: 4-Isopropylbenzenesulfonyl chloride may be used to synthesize chlorosulfonyl-functionalized ATRP (Atom transfer radical polymerization) initiator and 4-isopropylbenzenethiol.

Technology Process of 4-Isopropylbenzenesulfonyl chloride

There total 8 articles about 4-Isopropylbenzenesulfonyl 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: 94.0%

Isopropylbenzene (98-82-8) → 4-isopropylbenzenesulfonyl chloride (54997-90-9)

Guidance literature:

With chlorosulfonic acid; at 0 ℃;

Reference yield: 93.0%

4-isopropylbenzenesulfonyl hydrazide (219741-32-9) → 4-isopropylbenzenesulfonyl chloride (54997-90-9)

Guidance literature:

With N-chloro-succinimide; In acetonitrile; at 20 ℃; for 2h;

DOI:10.3390/molecules26185551

Reference yield: 63.0%

4-mercapto-cumene (4946-14-9) → 4-isopropylbenzenesulfonyl chloride (54997-90-9)

Guidance literature:

With ammonium nitrate; hydrogenchloride; oxygen; In water; acetonitrile; at 60 ℃; for 1.5h; Green chemistry;

DOI:10.1039/c7gc00556c

upstream raw materials:

Isopropylbenzene

p-cumenesulfonic acid

4-mercapto-cumene

4-isopropylbenzenesulfonyl hydrazide

Downstream raw materials:

4-isopropyl-benzenesulfinic acid

perfluoro-4-isopropylcyclohexanesulfonylfluoride

3-(4-Isopropyl-benzolsulfonylamino)-propionsaeurenitril

4-mercapto-cumene

Refernces

• 1、 Jereb, Marjan,Hribernik, Luka. "Conversion of thiols into sulfonyl halogenides under aerobic and metal-free conditions". supporting information. p. 2286 - 2295. Retrieved 2017/07/24.
• 2、 Binisti, Carine,Assogba, Leon,Touboul, Estera,Mounier, Carine,Huet, Jack,Ombetta, Jean-Edouard,Dong, Chang Zhi,Redeuilh, Catherine,Heymans, Francoise,Godfroid, Jean-Jacques. "Structure-activity relationships in platelet-activating factor (PAF). 11-From PAF-antagonism to phospholipase A2 inhibition: Syntheses and structure-activity relationships in 1-arylsulfamido-2-alkylpiperazines". . p. 809 - 828. Retrieved 2007/10/03.