1-[4-[2-(4-Acetylphenyl)acetyl]-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;tert-butyl 4-[2-[5-[3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-yl]-2-oxoethyl]benzoate

Basic Information

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CAS Number

9024-82-2

Molecular Formula

C21H27NO4

Molecular Weight

357.45 g/mol

EINECS

232-784-7

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

off-white

Melting Point

No data available

Boiling Point

566.6±50.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

296.5±30.1 °C

Vapor Pressure

0.0±1.6 mmHg at 25°C

SMILES

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CC1=C2C(N(CCC2=NN1)C(=O)C=CC3=C(C=CC(=C3F)Cl)N4C=NN=N4)C(=O)CC5=CC=C(C=C5)C(=O)C.CC1=C2C(N(CCC2=NN1)C(=O)C=CC3=C(C=CC(=C3F)Cl)N4C=NN=N4)C(=O)CC5=CC=C(C=C5)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2

InChIKey

NETZHAKZCGBWSS-UHFFFAOYSA-N

LogP

1.7073000000000005

Topological Polar Surface Area

73.16000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

2000

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

EC 3.6.1.1
INORGANIC PYROPHOSPHATASE
INORGANIC PYROPHOSPHATASE, THERMUS THERMOPHILUS
PPJ
PPASE
PPASE, THERMOSTABLE
PYROPHOSPHATE PHOSPHOHYDROLASE
PYROPHOSPHATE PHOSPHOHYDROLASE, THERMOSTABLE
Pyrophosphatase,inorganic
Diphosphatase
E.C. 3.6.1.1
Inorg. pyrophosphatase
PPase
Pyrophosphatase
Pyrophosphatase 1
Pyrophosphatases
Pyrophosphate phosphohydrolase
Inorganic Pyrophosphatase
(E)-1-[4-[2-(4-acetylphenyl)acetyl]-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one;tert-butyl 4-[2-[5-[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-4-yl]-2-oxoethyl]benzoate
9024-82-2

MDL Number

MFCD00131379

EC Number

232-784-7

FAQ

What regulatory guidelines apply to 1-[4-[2-(4-Acetylphenyl)acetyl]-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one (CAS: 9024-82-2)?

The compound (CAS: 9024-82-2) falls under the regulatory framework of the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in Europe, and FDA/EPA guidelines in the United States. Manufacturers and importers must comply with these regulations for classification, labeling, and safe handling of the compound.

Are there alternatives to 1-[4-[2-(4-Acetylphenyl)acetyl]-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one (CAS: 9024-82-2) in synthesis?

Synthetic alternatives to the compound include using isomers or analogs such as 2-(acetylphenyl)acetic acid derivatives, or utilizing different tetrazole precursors. Common alternative reagents like acetyl chloride or acetic anhydride can be considered as substitutes in the synthesis process.

What is the market or research trend for 1-[4-[2-(4-Acetylphenyl)acetyl]-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one (CAS: 9024-82-2)?

The market and research for the compound (CAS: 9024-82-2) are driven by its potential applications in pharmaceuticals and materials science. Recent trends show increasing interest in its use as a pharmaceutical intermediate and in developing new functional materials. Emerging research focuses on its biological activity and environmental impact.

How should waste containing 1-[4-[2-(4-Acetylphenyl)acetyl]-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-en-1-one (CAS: 9024-82-2) be handled?

Waste containing the compound should be collected in sealed containers and disposed of through professional waste disposal services. Incineration is a common method, but it should be conducted under controlled conditions to prevent environmental contamination. Proper handling includes protective measures to ensure worker safety and compliance with local environmental regulations.