2-Phenylthio-5-propionylphenylacetic acid

2-Phenylthio-5-propionylphenylacetic acid - Names and Identifiers

Name	2-Phenylthio-5-propionylphenylacetic acid
Synonyms	2-Phenylthio-5-propionylphenylacetic acid 2-(2-(Phenylthio)-5-propionylphenyl)acetic acid Benzeneacetic acid,5-(1-oxopropyl)-2-(phenylthio) 2-(2-phenylsulfanyl-5-propanoyl-phenyl)acetic acid 5-(1-oxopropyl)-2-(phenylthio)-Benzeneacetic acid,
CAS	103918-73-6
InChI	InChI=1/C17H16O3S/c1-2-15(18)12-8-9-16(13(10-12)11-17(19)20)21-14-6-4-3-5-7-14/h3-10H,2,11H2,1H3,(H,19,20)

2-Phenylthio-5-propionylphenylacetic acid - Physico-chemical Properties

Molecular Formula	C17H16O3S
Molar Mass	300.37
Density	1.26±0.1 g/cm3(Predicted)
Melting Point	108-110°C
Boling Point	499.4±45.0 °C(Predicted)
Flash Point	255.8°C
Solubility	DMSO (Slightly), Methanol (Slightly)
Vapor Presure	8.57E-11mmHg at 25°C
Appearance	Solid
Color	White to Off-White
pKa	4.01±0.10(Predicted)
Storage Condition	Sealed in dry,Room Temperature
Refractive Index	1.631

2-Phenylthio-5-propionylphenylacetic acid - Introduction

2-Phenylthio-5-propionylphenylacetic acid is an organic compound with the chemical formula C16H16O2S. It is often referred to as BPAPE.

Nature:
2-Phenylthio-5-propionylphenylacetic acid is a yellow solid. It has a strong aroma and produces a stable solution when dissolved in an organic solvent. Soluble for many common solvents such as ethanol, ethers and ketones.

Use:
2-Phenylthio-5-propionylphenylacetic acid is commonly used as an oxidant and catalyst. It is widely used in the manufacture of anticancer drugs, pesticides and polymer materials in organic synthesis. In addition, it can also be used as a biomarker.

Preparation Method:
The method for preparing 2-phenylthio-5-propionylphenylacetic acid usually includes the following steps:
1. reacting benzyl ketone with thioacetate to obtain benzyl alcohol;
2. reacting benzyl alcohol with cis-trans -2-propenal to generate 2-phenyl -5-propanol benzyl alcohol;
3.2-Phenyl -5-propanol benzyl alcohol is reacted with pyrophosphoric acid to obtain the desired 2-phenylthio-5-propionylphenylacetic acid.

Safety Information:
2-phenylthio-5-propionylphenylacetic acid has low toxicity. During use, avoid contact with skin and eyes, and wear personal protective equipment when necessary. During storage and handling, care should be taken to prevent moisture, fire and avoid mixing with organic matter. In case of leakage or other accidents, appropriate measures shall be taken to deal with and clean up. If necessary, refer to relevant safety information and consult professional and technical personnel.

Last Update：2024-04-09 20:52:54

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