1,2,3,5-TETRAHYDRO-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDENE-4-ONE
1,2,3,5-Tetrahydro-8-thia-5,7-diaza-cyclopenta[a]indene-4-one
CAS: 14346-25-9
Molecular Formula: C9H8N2OS
1,2,3,5-TETRAHYDRO-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDENE-4-ONE - Names and Identifiers
| Name | 1,2,3,5-Tetrahydro-8-thia-5,7-diaza-cyclopenta[a]indene-4-one |
| Synonyms | AKOS 92545 AURORA 20176 AKOS MSC-0517 OTAVA-BB BB0111780275 1,2,3,5-TETRAHYDRO-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDENE-4-ONE 1,2,3,5-Tetrahydro-8-thia-5,7-diaza-cyclopenta[a]indene-4-one 3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE 4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE, 3,5,6,7-TETRAHYDRO- |
| CAS | 14346-25-9 |
| InChI | InChI=1/C9H8N2OS/c12-8-7-5-2-1-3-6(5)13-9(7)11-4-10-8/h4H,1-3H2,(H,10,11,12) |
1,2,3,5-TETRAHYDRO-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDENE-4-ONE - Physico-chemical Properties
| Molecular Formula | C9H8N2OS |
| Molar Mass | 192.24 |
| Density | 1.70±0.1 g/cm3(Predicted) |
| Melting Point | 242-244℃ |
| Boling Point | 423.1±55.0 °C(Predicted) |
| Flash Point | 243.8°C |
| Vapor Presure | 2.34E-09mmHg at 25°C |
| pKa | 1.51±0.20(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.864 |
1,2,3,5-TETRAHYDRO-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDENE-4-ONE - Risk and Safety
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| HS Code | 29349990 |
1,2,3,5-TETRAHYDRO-8-THIA-5,7-DIAZA-CYCLOPENTA[A]INDENE-4-ONE - Introduction
Nature:
The chemical formula of TH-3 is C11H11N3S, and the appearance is white crystal or powder. It has an amine odor with a higher olfactory threshold. TH-3 is insoluble in water, but soluble in organic solvents such as ethanol and dimethylformamide. It is a stable compound with a long shelf life at room temperature.
Use:
TH-3 can be used as an intermediate in organic synthesis. It is often used in the preparation of drugs and pesticides, and can also be used in the synthesis of dyes and photosensitive materials. TH-3 has good reactivity and selectivity in organic synthesis, so it is widely used in chemical research and industrial production.
Method:
The synthesis method of TH-3 is usually carried out by oxidation and reduction reactions. The specific steps are as follows: First, starting from 1,2, 3,5-tetrahydroisothiophene-4-one, 1,2,3 is obtained by oxidation reaction, 5-tetrahydroisothiophene -4,6-Dione intermediate. The intermediate is then converted to 1,2, 3,5-tetrahydro-8-thia-5, 7-diaza-cyclopenta[a]indene-4-one by reduction.
Safety Information:
TH-3 are less toxic and dangerous. However, it is necessary to strictly follow laboratory safety procedures during use, such as wearing appropriate personal protective equipment (such as gloves and glasses) and avoiding contact with skin and eyes. At the same time, care should be taken to avoid inhalation of dust or contact with the mouth. During storage, the TH-3 should be kept in a dry, cool and well-ventilated place, avoiding contact with oxygen and fire sources. If ingested or inhaled, seek medical attention immediately.
Last Update：2024-04-09 21:01:54
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