2-[(Acetylthio)methyl]-phenylpropionic acid
- Product Name
- 2-[(Acetylthio)methyl]-phenylpropionic acid
- CAS No.
- 91702-98-6
- Chemical Name
- 2-[(Acetylthio)methyl]-phenylpropionic acid
- Synonyms
- Racecadotril impurity 01;(acetylthio)methyl) -phenylpropionic acid;3-(Acetylsulfanyl)-2-benzylpropanoic acid;3-(Acetylsulphanyl)-2-benzylpropanoic acid;2-[(ACETYLETHIO)METHYL]PHENYLPROPIONIC ACID;2-[(Acetylthio)methyl]-phenylpropionic acid;a-[(Acetylthio)methyl]benzenepropanoic Acid;2-(Acetylthiomethyl)-3-phenylpropionic Acid;α-[(Acetylthio)Methyl]benzenepropanoic Acid;2-[(Acetylthio)methyl]-3-phenylpropanoic acid
- CBNumber
- CB0855219
- Molecular Formula
- C12H14O3S
- Formula Weight
- 238.3
- MOL File
- 91702-98-6.mol
2-[(Acetylthio)methyl]-phenylpropionic acid Property
- Melting point:
- 39 °C
- Boiling point:
- 381.9±35.0 °C(Predicted)
- Density
- 1.226±0.06 g/cm3(Predicted)
- refractive index
- 1.55
- storage temp.
- 2-8°C(protect from light)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- powder to lump to clear liquid
- pka
- 4.06±0.10(Predicted)
- color
- White or Colorless to Yellow
- CAS DataBase Reference
- 91702-98-6
Safety
- HS Code
- 2930909899
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
- Precautionary statements
-
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P280Wear protective gloves/protective clothing/eye protection/face protection.
N-Bromosuccinimide Price
- Product number
- A2220
- Product name
- 2-[(Acetylthio)methyl]-3-phenylpropionic Acid
- Purity
- >98.0%(T)
- Packaging
- 1g
- Price
- $61
- Updated
- 2025/07/31
- Product number
- A2220
- Product name
- 2-[(Acetylthio)methyl]-3-phenylpropionic Acid
- Purity
- >98.0%(T)
- Packaging
- 5g
- Price
- $185
- Updated
- 2025/07/31
- Product number
- A188690
- Product name
- 3-(Acetylthio)-2-benzylpropionicAcid
- Packaging
- 10g
- Price
- $375
- Updated
- 2021/12/16
- Product number
- OR17540
- Product name
- 2-[(Acetylthio)methyl]-3-phenylpropanoicacid
- Purity
- 96%
- Packaging
- 1g
- Price
- $15
- Updated
- 2021/12/16
- Product number
- OR17540
- Product name
- 2-[(Acetylthio)methyl]-3-phenylpropanoicacid
- Purity
- 96%
- Packaging
- 5g
- Price
- $32
- Updated
- 2021/12/16
2-[(Acetylthio)methyl]-phenylpropionic acid Chemical Properties,Usage,Production
Chemical Properties
Brownish Liquid
Uses
2-[(Acetylthio)methyl]-phenylpropionic acid is a racecadotril intermediate. It is also a β-thiopropionyl-amino acid derivative used as β-lactamase inhibitor.
Synthesis
5669-19-2
507-09-5
91702-98-6
General procedure for the synthesis of 3-(acetylthio)-2-benzylpropionic acid from 2-benzylpropenoic acid and thioacetic acid: 16.2 g of 2-benzylpropenoic acid and 12.3 mL of thioacetic acid were added to a clean and dry round-bottomed flask, and the reaction was stirred for 1 hour at 30 °C. Subsequently, the reaction mixture was warmed up to 60 °C and the stirring reaction was continued for 4 hours. Upon completion of the reaction, the excess thioacetic acid was removed by distillation to give the crude product of 3-(acetylthio)-2-benzylpropionic acid. Yield: 23.8 g.
References
[1] Journal of Medicinal Chemistry, 1994, vol. 37, # 15, p. 2461 - 2476
[2] Journal of Organic Chemistry, 2009, vol. 74, # 9, p. 3389 - 3393
[3] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 20, p. 5614 - 5619
[4] Journal of Medicinal Chemistry, 1992, vol. 35, # 3, p. 602 - 608
[5] Magnetic Resonance in Chemistry, 2000, vol. 38, # 6, p. 468 - 471
2-[(Acetylthio)methyl]-phenylpropionic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 2-[(Acetylthio)methyl]-phenylpropionic acid manufacturers
- Product
- Racecadotril impurity 18 91702-98-6
- Price
- US $0.00-0.00/mg
- Min. Order
- 10mg
- Purity
- 95%+
- Supply Ability
- 10000
- Release date
- 2025-03-10
- Product
- 2-[(Acetylthio)methyl]-phenylpropionic acid 91702-98-6
- Price
- US $175.80/kg
- Min. Order
- 25kg
- Purity
- 99%
- Supply Ability
- 1tons
- Release date
- 2023-02-13
- Product
- 2-[(Acetylthio)methyl]-phenylpropionic acid 91702-98-6
- Price
- US $1.00/g
- Min. Order
- 100g
- Purity
- 98%min
- Supply Ability
- G/KG/T
- Release date
- 2019-12-23