20640-68-0

Basic information

• Product Name: DL-PHENYLMERCAPTURIC ACID
• Synonyms: DL-PHENYLMERCAPTURIC ACID;N-ACETYL-S-PHENYL-DL-CYSTEINE;Phenylmercapturicacid;DL-MercapturicAcid;(2R)-2-Acetylamino-3-(phenylthio)propionic acid;(R)-2-(Acetylamino)-3-(phenylthio)propanoic acid;Cysteine, N-acetyl-S-phenyl-;Nsc 337386
• CAS NO: 20640-68-0
• Molecular Formula: C₁₁H₁₃NO₃S
• Molecular Weight: 239.29
• Mol File: 20640-68-0.mol
• Article Data: 3

Chemical Properties

• Melting Point: 155°C
• Boiling Point: 494.5±40.0 °C(Predicted)
• Appearance: /
• Density: 1.28±0.1 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly, Heated)
• PKA: 3.25±0.10(Predicted)
• CAS DataBase Reference: DL-PHENYLMERCAPTURIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: DL-PHENYLMERCAPTURIC ACID(20640-68-0)
• EPA Substance Registry System: DL-PHENYLMERCAPTURIC ACID(20640-68-0)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 22-36/37/39
• Hazardous Substances Data: 20640-68-0(Hazardous Substances Data)

Usage

Uses

2-(Acetylamino)-3-(phenylthio)propanoic Acid can be used as BTEX metabolites derivation kit.

Upstream product

• 110-89-4 piperidine 
• 64-17-5 ethanol 
• 5429-56-1 N-Acetamidoacrylic acid 
• 108-98-5 thiophenol 

Downstream Products

• 5437-52-5 2-(S)-amino-3-phenylsulfanylpropionic acid 
• 88347-91-5 2-acetamido-3-phenylsulfanylpropionic acid methyl ester 
• 88347-90-4 S-phenyl-D,L-cysteine hydrochloride 
• 89024-26-0 2-acetylamino-N-methyl-3(phenylthio)propionamide 
• 7554-99-6 S-phenyl-DL-cysteine S,S-dioxide 
• 98996-48-6 S-phenyl-DL-cysteine S-oxide 

Relevant articles and documents

Synthesis of S-aryl-D,L-cysteines and incorporation into keratin sequences

-

Formation of β-lactams from 3-phenylthiopropionamide derivatives. A possible model for penicillin biosynthesis

The Cu-catalysed reaction of the substituted 3-phenylthiopropianamide with di-t-butyl peroxide gives the β-lactam via oxidative cyclisation of the α-thioalkyl radical. Similar reactions of the propionamides with t-butyl perbenzoate give benzoates which can be readily converted into the β-lactams, but neither β-lactams nor benzoates can be obtained from the thiazepines. Dimethyl disulfide is benzoyloxylated on treatment with t-butyl perbenzoate. The relevance of these results to penicillin biosynthesis is discussed.