3-(Acetylsulphanyl)-2-benzylpropanoic acid

3-(Acetylsulphanyl)-2-benzylpropanoic acid - Names and Identifiers

Name	2-[(Acetylthio)methyl]-3-phenylpropionic acid
Synonyms	2-(Acetylthiomethyl)phenyl propionic acid 3-(Acetylsulphanyl)-2-benzylpropanoic acid 2-(acetylthio)methyl)-phenylpropionic acid α-[(Acetylthio)Methyl]benzenepropanoic Acid 2-[(ACETYLETHIO)METHYL]PHENYLPROPIONIC ACID 2-[(Acetylthio)methyl]-phenylpropionic acid 2-(Acetylthiomethyl)-3-phenylpropionic Acid a-[(Acetylthio)methyl]benzenepropanoic Acid 2-[(Acetylthio)methyl]-3-phenylpropionic acid 2-[(ACETYLTHIO)METHYL]-3-PHENYLPROPIONIC ACIDE 2-[(Acetylsulfanyl)methyl]-3-phenylpropionic Acid
CAS	91702-98-6
InChI	InChI=1/C12H14O3S/c1-8(12(14)15)11-6-4-3-5-10(11)7-16-9(2)13/h3-6,8H,7H2,1-2H3,(H,14,15)

3-(Acetylsulphanyl)-2-benzylpropanoic acid - Physico-chemical Properties

Molecular Formula	C12H14O3S
Molar Mass	238.3
Density	1.226±0.06 g/cm3(Predicted)
Melting Point	39 °C
Boling Point	381.9±35.0 °C(Predicted)
Appearance	powder to lump to clear liquid
Color	White or Colorless to Yellow
pKa	4.06±0.10(Predicted)
Storage Condition	2-8°C(protect from light)
Refractive Index	1.55
MDL	MFCD00236751

3-(Acetylsulphanyl)-2-benzylpropanoic acid - Introduction

2-[(Acetylthio)methyl]-3-phenylpropionic acid is an organic compound commonly known by the abbreviation ATMPA. The following is an introduction to its nature, use, preparation and safety information:

Nature:
-Appearance: White crystalline solid.
-Molecular formula: C12H14O3S.
-Molecular weight: 246.31.
-Melting point: about 155-157°C.
-Solubility: Soluble in organic solvents, such as ethanol, chloroform and n-butanol.

Use:
- ATMPA is an antagonist that can be used to treat gastrointestinal damage caused by non-steroidal anti-inflammatory drugs.
-It is also used as an antioxidant and free radical scavenger, with antioxidant and anti-inflammatory effects.
-In cosmetics and skin care products, ATMPA can be used as an anti-aging and antioxidant.

Method:
The synthesis of-ATMPA is usually carried out in two steps.
-First, use lipoic acid chloride and ethyl ethyl sulfate to react in thionyl chloride to synthesize ethyl acetyl mercaptoethyl sulfate.
-Then, ethyl acetylmercaptoethyl sulfate is reacted with styrene under the catalysis of diborane to generate 2-[(Acetylthio)methyl]-3-phenylpropionic acid.

Safety Information:
- ATMPA has limited safety information and should be used with caution.
-Avoid contact with skin and eyes, and avoid inhalation or intake.
-If exposed, rinse immediately with water and seek medical advice.
-Refer to the Chemical Safety Data Sheet (MSDS) for specific safe handling and storage information.

Please note that information on the nature, use, formulation and safety of ATMPA is based on available literature and it is up to the user to verify its accuracy and take appropriate precautions.

Last Update：2024-04-09 21:01:54