2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile - Names and Identifiers
Name | 2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
|
Synonyms | 5-Cyano-2-(Methylthio)pyriMidine-4-one 5-Cyano-4-hydroxy-2-(methylthio)pyrimidine 5-Cyano-3,4-dihydro-2-methylthiopyrimidin-4-one 4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile 4-hydroxy-2-(methylthio)pyrimidine-5-carbonitrile 5-Pyrimidinecarbonitrile, 4-hydroxy-2-(methylthio)- 4-Hydroxy-2-Methylsulfanyl-pyriMidine-5-carbonitrile 4-Hydroxy-2-(methylsulfanyl)pyrimidine-5-carbonitrile 2-(Methylthio)-6-oxo-1,6-dihydropyriMidine-5-carbonitrile 2-(methylthio)-4-oxo-1,4-dihydropyrimidine-5-carbonitrile 2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
|
CAS | 89487-99-0
|
InChI | InChI=1/C6H5N3OS/c1-11-6-8-3-4(2-7)5(10)9-6/h3H,1H3,(H,8,9,10) |
2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile - Physico-chemical Properties
Molecular Formula | C6H5N3OS
|
Molar Mass | 167.19 |
Density | 1.42±0.1 g/cm3 (20 ºC 760 Torr) |
Melting Point | 222-224℃ (isopropanol ) |
Boling Point | 381.5°C at 760 mmHg |
Flash Point | 184.5°C |
Vapor Presure | 2.3E-06mmHg at 25°C |
pKa | 5.38±0.50(Predicted) |
Storage Condition | Sealed in dry,Room Temperature |
Refractive Index | 1.673 |
2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile - Risk and Safety
Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38 - Irritating to eyes, respiratory system and skin.
|
Safety Description | S22 - Do not breathe dust.
S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection.
|
UN IDs | 3439 |
HS Code | 29335990 |
2-(methylsulfanyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile - Introduction
2-(methylsulfanyl)-6-oxo-1, is an organic compound whose chemical formula is C6H6N4OS. The following is a description of its nature, use, preparation and safety information:
Nature:
-Appearance: 2-(methylsulfanyl)-6-oxo-1, white crystalline solid.
-Solubility: insoluble in water, but soluble in some organic solvents such as ethanol and dimethyl sulfoxide.
-Melting point: about 175-177°C.
Use:
- 2-(methylsulfanyl)-6-oxo-1, with a variety of biological activities, can be used as anti-tumor, antibacterial and antiviral drug intermediates.
-The compound can also be used in organic synthesis reactions, such as in the synthesis of new compounds or organic fluorescent dyes can be applied to catalytic reactions.
Preparation Method:
The preparation of 2-(methylsulfanyl)-6-oxo-1, can be carried out by the following steps:
1. First, 3-(methylthio)-4-hydroxy-5-cyanopyrimidine is reacted with acid chloride to obtain the product amide.
2. Then, through hydrogenation treatment or reduction reaction, the amide is reduced to 2-(methylsulfanyl)-6-oxo-1, the product.
Safety Information:
2-(methylsulfanyl)-6-oxo-1, the use of the arrow should follow the safety operation specifications, and pay attention to the following matters:
-This compound may cause irritation or sensitization to the eyes, skin and respiratory tract, so contact should be avoided during operation.
-Avoid inhaling the dust or vapor of the compound, and need to operate in a well-ventilated place.
-Use suitable personal protective equipment, such as gloves and glasses, when using or storing.
-In the event of an accident, immediately flush the affected area with plenty of water and seek medical assistance.
When using and handling this compound, please follow the relevant safety regulations and operating instructions.
Last Update:2024-04-09 21:01:54