OTAVA-BB BB0111780275

OTAVA-BB BB0111780275 - 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)

OTAVA-BB BB0111780275 - 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

OTAVA-BB BB0111780275 - 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

OTAVA-BB BB0111780275 - 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