778-28-9

Basic information

• Product Name: P-TOLUENESULFONIC ACID N-BUTYL ESTER
• Synonyms: butyltosylate;p-Toluenesulfonic acid, butyl ester;p-toluenesulfonicacid,butylester;P-TOLUENESULFONIC ACID N-BUTYL ESTER;N-BUTYLTOSYLATE;N-BUTYL P-TOLUENESULFONATE;BUTYL P-TOLUENESULFONATE;BUTYL P-TOSYLATE
• CAS NO: 778-28-9
• Molecular Formula: C₁₁H₁₆O₃S
• Molecular Weight: 228.31
• EINECS: 212-295-5
• Mol File: 778-28-9.mol
• Article Data: 33

Chemical Properties

• Boiling Point: 170-172 °C (10 mmHg)
• Flash Point: 156.6°C
• Appearance: Clear light yellow to brownish/Liquid
• Density: 1.12
• Vapor Pressure: 0.000234mmHg at 25°C
• Refractive Index: 1.503-1.505
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: Chloroform (Slightly), DMSO (Sparingly)
• Water Solubility: 44.9mg/L at 20℃
• CAS DataBase Reference: P-TOLUENESULFONIC ACID N-BUTYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: P-TOLUENESULFONIC ACID N-BUTYL ESTER(778-28-9)
• EPA Substance Registry System: P-TOLUENESULFONIC ACID N-BUTYL ESTER(778-28-9)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 37/39-26
• RTECS: XT6400000
• Hazardous Substances Data: 778-28-9(Hazardous Substances Data)

Usage

Uses

Butyl 4-Methylbenzenesulfonate is used in preparation of highly-branched chain Ammonium Dicarboxylate Salt.

Flammability and Explosibility

Notclassified

InChI:InChI=1/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3

Upstream product

• 126-73-8 phosphoric acid tributyl ester 
• 104-15-4 toluene-4-sulfonic acid 
• 108-88-3 toluene 
• 1825-65-6 butoxytrimethylsilane 
• 98-59-9 p-toluenesulfonyl chloride 
• 18826-95-4 1.3-butanediol 
• 71-36-3 butan-1-ol 
• 72973-25-2 N,N-dimethyl-1-(p-tolylsulfonyl)pyridin-1-ium-4-amine chloride 
• 142-96-1 dibutyl ether 
• 26908-82-7 acetyl p-toluenesulfonate 
• 824-79-3 sodium 4-methylbenzenesulfinate 
• 688-74-4 boric acid tributyl ester 
• 16836-95-6 silver(I) 4-methylbenzenesulfonate 
• 1927-68-0 2-butoxytetrahydropyran 

Downstream Products

• 109-65-9 1-bromo-butane 
• 104-51-8 1-butylbenzene 
• 1120-21-4 n-Undecane 
• 142-82-5 n-heptane 
• 57264-52-5 2-butoxy-1-methyl-4-nitrobenzene 
• 108975-51-5 N-butyl-4-methyl-N-phenylbenzenesulfonamide 
• 16169-29-2 1-butoxy-4-methoxy-2-nitro-benzene 
• 4906-28-9 4-butoxy-3-nitro benzoic acid 
• 1071690-01-1 2-butoxy-4-nitro-benzoic acid butyl ester 
• 10285-92-4 N-ethyl-N-butyl-toluene-4-sulfonamide 
• 476615-11-9 2-butoxy-4-nitro-benzoic acid ethyl ester 
• 142-96-1 dibutyl ether 
• 538-68-1 pentylbenzene 
• 628-81-9 butyl ethyl ether 

Relevant articles and documents

Identification of organophosphorus simulants for the development of next-generation detection technologies

Organophosphorus (OP) chemical warfare agents (CWAs) represent an ongoing threat but the understandable widespread prohibition of their use places limitations on the development of technologies to counter the effects of any OP CWA release. Herein, we describe new, accessible methods for the identification of appropriate molecular simulants to mimic the hydrogen bond accepting capacity of the PO moiety, common to every member of this class of CWAs. Using the predictive methodologies developed herein, we have identified OP CWA hydrogen bond acceptor simulants for soman and sarin. It is hoped that the effective use of these physical property specific simulants will aid future countermeasure developments.

Rapid transformation of sulfinate salts into sulfonates promoted by a hypervalent iodine(III) reagent

An alternative method for forming sulfonates through hypervalent iodine(III) reagent-mediated oxidation of sodium sulfinates has been developed. This transformation involves trapping reactive sulfonium species using alcohols. With additional optimization of the reaction conditions, the method appears extendable to other nucleophiles such as electron-rich aromatic systems or cyclic ethers through a ring opening pathway.

An efficient practical tosylation of phenols, amines, and alcohols employing mild reagent [DMAPTs]+Cl?

Efficient exploration of [DMAPTs]+Cl?for base free and chromatography free preparation of sulfonate esters from phenols and alcohols and sulfonamides from amines was achieved in excellent yields. Majority of the phenols irrespective of their substituents electronic nature underwent tosylation nearly at same reaction rate with an average yield of 95%. For amines, ring activating substituents favors rapid sulfonylation while the ring deactivating substituents relatively lowers the rate of tosylation. Furthermore the reagent was employed for Chemoselective sulfonylation as well as solvent free tosylation of phenols and amines.