4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile
4-chloro-2-(methylsulfanyl)pyrimidine-5-carbonitrile
CAS: 33089-15-5
Molecular Formula: C6H4ClN3S
4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile - Names and Identifiers
4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile - Physico-chemical Properties
| Molecular Formula | C6H4ClN3S |
| Molar Mass | 185.63 |
| Density | 1.45±0.1 g/cm3(Predicted) |
| Melting Point | 67-68 °C(Solv: benzene (71-43-2); ligroine (8032-32-4)) |
| Boling Point | 340.7±22.0 °C(Predicted) |
| Flash Point | 159.878°C |
| Vapor Presure | 0mmHg at 25°C |
| pKa | -3.26±0.29(Predicted) |
| Storage Condition | Inert atmosphere,Store in freezer, under -20°C |
| Refractive Index | 1.614 |
4-Chloro-2-(methylthio)pyrimidine-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 | S9 - Keep container in a well-ventilated place. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | 3439 |
| HS Code | 29335990 |
4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile - Reference Information
| introduction | pyrimidine is a very important heterocyclic compound, which is widely used in the fields of medicine and pesticides. Because pyrimidine compounds have the advantages of high efficiency, low toxicity and unique mode of action, their molecular design, synthesis and biological activity research are still a very active field in the research of heterocyclic compounds. Pyrimidine derivatives are used as receptor tyrosine kinase inhibitors and are used in the treatment of cancer. 4-Chloro-2-methylthiopyrimidin-5-nitrile is a heterocyclic organic compound that can be used as a pharmaceutical intermediate. |
| Use | 4-chloro-2-methylthiopyrimidine-5-nitrile is an organic intermediate. It has been reported that 4-chloro-2-methylthiopyrimidin-5-nitrile can be used to prepare steroidal anti-androgen compounds. Pharmacological experiments have proved that these compounds have good anti-prostate cancer activity. |
| preparation | 2g(6.6mmol) of raw material 4-chloro-2-methylthiopyrimidine -5-carboxylate ethyl ester is dissolved in 10ml of anhydrous ethanol, 0.68g of NaOH solid and 10ml of water are added, and the temperature is heated to reflux. TLC showed complete response after 1h. Rotate and dry the ethanol, adjust the PH to 3 with 6N HCl, and a large amount of solid is precipitated. 1.69g of white crystal was obtained by suction filtration with 91.8% yield. |
Last Update：2024-04-10 22:29:15
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View History
4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile
SALMF AMIDE 2
2-氨基-5,6-二氢-4H-环戊二烯并[B]噻吩-3-甲酰胺
BISPHENOLADIGLYCIDYLETHERDIHYDRATE
芦荟大黄素8-0葡萄糖苷
4-Anisidine-2--hydroxyethyl sulfone sulfate ester
1-METHYL-2,3-PYRROLIDINEDIONE
TERT-BUTYL (3R,4S)-3-AMINO-4-METHYLPYRROLIDINE-1-CARBOXYLATE
GLUTATHIONE-S-TRANSFERASE SCHISTOSOMA JAPONICUM
6-AMINO-2-CHLOROBENZOC ACID
SALMF AMIDE 2
2-氨基-5,6-二氢-4H-环戊二烯并[B]噻吩-3-甲酰胺
BISPHENOLADIGLYCIDYLETHERDIHYDRATE
芦荟大黄素8-0葡萄糖苷
4-Anisidine-2--hydroxyethyl sulfone sulfate ester
1-METHYL-2,3-PYRROLIDINEDIONE
TERT-BUTYL (3R,4S)-3-AMINO-4-METHYLPYRROLIDINE-1-CARBOXYLATE
GLUTATHIONE-S-TRANSFERASE SCHISTOSOMA JAPONICUM
6-AMINO-2-CHLOROBENZOC ACID