Methyl p-toluenesulfonate

Details:

1. Introduction of P-Toluene sulfonic acid Methyl Ester

P-Toluene sulfonic acid Methyl Ester (CAS NO.80-48-8) is one kind of colorless tolight yellow lighid. The methyl 4-methylbenzenesulfonate is the chemical name of this good. Besides, it belongs to the product categories which are Organic Building Blocks; Sulfur Compounds; Tosylates.

Our P-Toluene sulfonic acid Methyl Ester is 98%min. The detailed information of it is as follows:

P-Toluene sulfonic acid Methyl Ester Name of product : P-Toluene sulfonic acid Methyl Ester Molecular formula : C₈H₁₀O₃S Melting point : min 24°C Water : max 0.5% PTSA : max 0.2% PTSC : max 0.3% Ash : max 0.05%.

2. Basic information of P-Toluene sulfonic acid Methyl Ester

1) Properties:

(1)#H bond donors: 0; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.3; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 5.71; (6)ACD/BCF (pH 7.4): 5.71; (7)ACD/KOC (pH 5.5): 121.16; (8)ACD/KOC (pH 7.4): 121.16; (9)#H bond acceptors: 3; (10)ACD/LogP: 1.30 ; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.75 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 46.56 cm³; (15)Molar Volume: 153.8 cm³; (16)Polarizability: 18.45×10^-24cm³; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 130.3 °C; (20)Enthalpy of Vaporization: 51 kJ/mol; (21)Boiling Point: 291.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00333 mmHg at 25°C.

2) Physical Properties
 

3) Descriptors of Structure
InChI: InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3
InChIKey: VUQUOGPMUUJORT-UHFFFAOYSA-N
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC
SMILES: O=S(=O)(OC)c1ccc(cc1)C

4) Production of P-Toluene sulfonic acid Methyl Ester

This chemical can be got from the reaction between the Tosyl chloride and the Methanol. And the temperature control in 25 °C below.

Another way to obtain this chemical is as follows:



5) Uses of P-Toluene sulfonic acid Methyl Ester

This chemical is used for organic synthesis of selective methylation reagent.