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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8O3S.H2O
Molecular Weight 190.217
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-TOLUENESULFONIC ACID MONOHYDRATE

SMILES

O.CC1=CC=C(C=C1)S(O)(=O)=O

InChI

InChIKey=KJIFKLIQANRMOU-UHFFFAOYSA-N
InChI=1S/C7H8O3S.H2O/c1-6-2-4-7(5-3-6)11(8,9)10;/h2-5H,1H3,(H,8,9,10);1H2

HIDE SMILES / InChI

Description

p-Toluenesulfonic acid (PTSA) is an organic compound with the formula CH3C6H4SO3H. An aromatic sulfonic acid, often used as a strong acid catalyst. p-Toluenesulfonic acid monohydrate has been used as a reducing agent for the reductive amination of ketones and aldehydes. In the presence of p-Toluenesulfonic acid monohydrate novel deazaflavin-cholestane hybrid compounds have been synthesized in a condensation reaction. 2-Phenylethyl alpha-glucoside has also been synthesized in the presence of p-Toluenesulfonic acid monohydrate. p-toluenesulfonic acid esters, are a common class of reagents used in the pharmaceutical industry as alkylating agents, catalysts, and in purification steps of the chemical synthesis of a drug substance.

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
Rat: Acute toxicity at 2570 mg/kg
Route of Administration: Oral
In Vitro Use Guide
p-Toluenesulfonic acid (PTSA) was added into the preheated SPO at different dosages (0.25-10% wt/wt) in presence of methanol to convert the FFA to FAME.