61738-47-4

Basic information

• Product Name: Benzenesulfonyl chloride, 2-(1-methylethyl)-
• CAS NO: 61738-47-4
• Molecular Formula: C9H11ClO2S
• Molecular Weight: 218.704
• Mol File: 61738-47-4.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: Benzenesulfonyl chloride, 2-(1-methylethyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenesulfonyl chloride, 2-(1-methylethyl)-(61738-47-4)
• EPA Substance Registry System: Benzenesulfonyl chloride, 2-(1-methylethyl)-(61738-47-4)

Safety Data

• Hazardous Substances Data: 61738-47-4(Hazardous Substances Data)

Upstream product

• 98-82-8 Isopropylbenzene 
• 82125-35-7 Diethyl-thiocarbamic acid S-(2-isopropyl-phenyl) ester 
• 6262-87-9 2-isopropylbenzenethiol 
• 7073-94-1 1-bromo-2-isopropylbenzene 
• 1165947-04-5 C₉H₁₁ClZn 

Downstream Products

• 61128-11-8 o-cumenesulfonyl fluoride 
• 26453-18-9 Thiophosphoric acid S-(2-isopropyl-phenyl) ester 
• 21317-45-3 Thiophosphoric acid O,O'-dibenzyl ester S-(2-isopropyl-phenyl) ester 
• 82125-41-5 2-Isopropyl-N,N-dimethyl-benzenesulfonamide 

Relevant articles and documents

Synthesis of Heteroaryl Sulfonamides from Organozinc Reagents and 2,4,6-Trichlorophenyl Chlorosulfate

A method for the preparation of aryl and heteroaryl sulfonamides using 2,4,6-trichlorophenyl chlorosulfate (TCPC) is described. The reaction of 2-pyridylzinc reagents with TCPC resulted in 2,4,6-trichlorophenyl (TCP) pyridine-2-sulfonates, and the parent pyridine-2-sulfonate was shown to react with amines. Less electron-rich aryl- and heteroarylzinc reagents reacted with TCPC to afford sulfonyl chlorides that were converted in situ to sulfonamides.

PHENYL SULFONAMIDE ENDOTHELIN ANTAGONISTS

Compounds of the formula STR1 inhibit the activity of endothelin. The symbols are defined as follows: R 1, R 2 and R. sup.3 are each independently(a) hydrogen, except that R. sup.1 is other than hydrogen;(b) alkyl, alkenyl, alkynyl, alkoxy, cycloalkyl, cycloalkylalkyl, cycloalkenyl, cycloalkenylalkyl, aryl, aryloxy, aralkyl or aralkoxy, any of which may be substituted with Z 1, Z 2 and Z. sup.3 ;(c) halo;(d) hydroxyl;(e) cyano; (f) nitro; (g)--C(O)H or--C(O)R 6 ;(h)--CO 2 H or--CO 2 R 6 ; (i)--SH,--S(O) n R 6,--S(O) m--OH,--S(O) m--OR 6,--O--S(O) m--R 6,--O--S(O) m OH or--O--S(O) m--OR. sup.6 ;(j)--Z. sup.4--NR 7 R 8 ; or (k)--Z 4--N(R 11--Z 5--NR 9 R 10 ; and the remaining symbols are as defined in the specification.

SULFONATION OF CUMENE WITH SULFURIC AND HALOGENOSULFONIC ACIDS

The sulfonation of cumene by sulfuric and chloro- and fluorosulfonic acids in the range of 0-100 deg C under heterogenous and heterogenous-homogenous conditions gives mixtures of isomeric sulfonyl halides and/or sulfonic acids, in which the para isomer predominates (90-95percent of the total isomers at temperatures above 75 deg C and/or with the addition of the sulfonating agent to the cumene).If the reagents are mixed in the opposite order and at low temperatures (0-25 deg C), the proportion of the ortho isomer in the mixture of sulfo products increases to 20-22percent.The yield of the sulfonyl halides show an extremal relationship with temperature.The composition of the sulfonic acids and their halides formed under the conditions of a single experiment with the halogenosulfonic acids differ as a result, probably, of the nonequilibrium nature of the process and of the presence of several paths to the formation of the acid halides.