88768-45-0

Basic information

• Product Name: (2-PYRIMIDYLTHIO)ACETIC ACID
• Synonyms: (2-Pyrimidylthio)acetic acid, HPLC 98%;2-(CARBOXYMETHYLMERCAPTO)PYRIMIDINE;(2-Pyrimidylthio)acetic acid,98%;(2-PyriMidylthio)acetic acid, 98% 5GR;(2-PyriMidylthio)acetic acid, 99,4%;(2-Pyrimidylthio)acetic acid 98%;2-(pyrimidin-2-ylthio)acetic acid;2-(Pyrimidin-2-ylsulfanyl)acetic acid
• CAS NO: 88768-45-0
• Molecular Formula: C₆H₆N₂O₂S
• Molecular Weight: 170.19
• EINECS: 289-445-1
• Product Categories: Pyridines, Pyrimidines, Purines and Pteredines;Building Blocks;Heterocyclic Building Blocks;Pyrimidines;Building Blocks;C6 to C8;Chemical Synthesis;Heterocyclic Building Blocks
• Mol File: 88768-45-0.mol
• Article Data: 2

Chemical Properties

• Melting Point: 204 °C (dec.)(lit.)
• Boiling Point: 356.1 °C at 760 mmHg
• Flash Point: 169.2 °C
• Appearance: Beige to light brown/Powder
• Density: 1.382 (estimate)
• Vapor Pressure: 1.09E-05mmHg at 25°C
• Refractive Index: 1.6490 (estimate)
• PKA: 3.16±0.10(Predicted)
• BRN: 136468
• CAS DataBase Reference: (2-PYRIMIDYLTHIO)ACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (2-PYRIMIDYLTHIO)ACETIC ACID(88768-45-0)
• EPA Substance Registry System: (2-PYRIMIDYLTHIO)ACETIC ACID(88768-45-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• Hazardous Substances Data: 88768-45-0(Hazardous Substances Data)

Usage

Uses

(2-Pyrimidylthio)acetic acid was used in the synthesis of diorganotin(IV)-oxo-carboxylates by reacting with diorganotin(IV) oxide.

InChI:InChI=1/C6H6N2O2S/c9-5(10)4-11-6-7-2-1-3-8-6/h1-3H,4H2,(H,9,10)/p-1

Upstream product

• 79-11-8 chloroacetic acid 
• 131242-36-9 2-sulfanylpyrimidine 
• 1450-85-7 2-thioxopyrimidine 

Relevant articles and documents

Regioselective reaction: Synthesis of novel Mannich bases derived from 3-(4,6-disubstituted-2-thiomethylpyrimidyl)-4-amino-5-mercapto-1,2-4-triazoles and their antimicrobial properties

A new series of 3-(4,6-disubstituted-2-thiomethylpyrimidyl)-4-amino-5- mercapto-1,2-4-triazoles have been synthesized. These triazoles on reaction with aldehydes in the presence of acid catalyst forms Schiff's bases. These Schiff's bases can exist both in the thiol as well as in the thione tautomeric form. However when these compounds are subjected to Mannich reaction, M-Mannicli bases 7a-f are obtained rather than the S-Mannich bases. The structures of the new compounds have been confirmed by spectral and analytical data. Few of these Mannich bases have been evaluated for their possible antifungal and antibacterial activity. Most of the tested compounds show significant antifungal and antibacterial activity.