(2E)-3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one

Basic Information

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CAS Number

69327-76-0

Molecular Formula

C16H23N3OS

Molecular Weight

305.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

104-106 ºC

Boiling Point

273 ºC (12 torr)

Density

1.18

Water Solubility

0.9 mg/L at 20 ºC

Flash Point

156 ºC

Refractive Index

1.52-1.522

Specific Rotation

22 º (c=8,6N HCl)

SMILES

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CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C

InChI

InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3/b17-14+

InChIKey

PRLVTUNWOQKEAI-SAPNQHFASA-N

LogP

4.1822000000000035

Topological Polar Surface Area

35.91 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

408

Safety Information

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Sensitiveness

对光敏感

Toxicity

LD50 in mice, rats (mg/kg): 10000, 8740 orally; LC50 (48 hr) in carp: 2-10 mg/l (Kanno, 1981)

Synonyms & References

English

Buprofezin
Buprofenzin
2-tert.-Butylimino-3-isopropyl-5-phenylperhydro-1,3,5-thiodiazin-4-one
2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one
2-(tert-Butylimino)-3-isopropyl-5-phenylperhydro-1,3,5-thidiazin-4-one
Applaud
NNI 750
Buprofezin solution
4H-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-
Appland
Aproad
Bis(tri-tert-butylphosphine)palladiuM(0)
BUPROLEX
BUTYL
PP618
VIAPPLA

MDL Number

MFCD01681899

FAQ

What is (2E)-3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one (CAS: 69327-76-0)?

This compound is a synthetic thiadiazine derivative with the chemical formula C12H16N2O2S2. It features a five-membered thiadiazine ring substituted with an isopropyl group at the 3-position, a phenyl group at the 5-position, and a tert-butylamino group at the 2-position. Known for its stability and reactivity, it is commonly used in organic synthesis and pharmaceutical research due to its potential biological activity.

What are the main uses of (2E)-3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one (CAS: 69327-76-0)?

This compound is primarily utilized in pharmaceuticals as a key intermediate for developing antihypertensive and anticonvulsant drugs. It also finds applications in industrial chemistry for synthesizing dyes and pesticides, and in research for studying its pharmacological properties. Its versatility makes it relevant in medicinal chemistry and materials science.

Is (2E)-3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one (CAS: 69327-76-0) safe?

Safety precautions are essential when handling this compound. It may exhibit toxicity upon inhalation, skin contact, or ingestion, so use of personal protective equipment (PPE) is recommended. Proper ventilation and adherence to OSHA guidelines are critical. Always follow safety data sheet (SDS) recommendations to minimize risks during laboratory or industrial use.

How should (2E)-3-Isopropyl-2-[(2-methyl-2-propanyl)imino]-5-phenyl-1,3,5-thiadiazinan-4-one (CAS: 69327-76-0) be stored?

Store this compound in a cool (≤25°C), dry, and dark environment to maintain stability. Keep it in a sealed, airtight container to prevent moisture and light exposure. Avoid contact with incompatible substances and ensure storage in a well-ventilated area. Proper labeling and adherence to chemical storage standards are necessary to ensure safety and longevity.