3-(2-Cyano-2-propanyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydro-6-quinazolinyl)amino]phenyl}benzamide

Basic Information

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CAS Number

878739-06-1

Molecular Formula

C27H25N5O2

Molecular Weight

440.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Solubility

DMSO: soluble10mg/mL, clear

SMILES

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Cc1ccc(cc1Nc2ccc3c(c2)c(=O)n(cn3)C)NC(=O)c4cccc(c4)C(C)(C)C#N

InChI

InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)

InChIKey

ZGBGPEDJXCYQPH-UHFFFAOYSA-N

LogP

5.535320000000005

Topological Polar Surface Area

76.02000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

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

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

3-(1-Cyano-1-methylethyl)-N-[3-[(3,4-dihydro-3-methyl-4-oxo-6-quinazolinyl)amino]-4-methylphenyl]benzamide
AZ 628
3-(2-Cyanopropan-2-yl)-N-(4-methyl-3-((3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino)phenyl)benzamide
AZ-628
3-(1-Cyano-1-methylethyl)-N-[3-[(3,4-dihydro-3-methyl-4-oxo-6-quinazolinyl)amino]-4-methylphenyl]-benzamide
3-(1-Cyano-1-methylethyl)-N-[3-[(3,4-dihydro-3-methyl-4-oxo-6-quinazolinyl)amino]-4-methylphenyl]benzamide (ACI)

MDL Number

MFCD17392577

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-(2-Cyano-2-propanyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydro-6-quinazolinyl)amino]phenyl}benzamide (CAS: 878739-06-1)?

3-(2-Cyano-2-propanyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydro-6-quinazolinyl)amino]phenyl}benzamide is a crystalline solid with a molecular weight of approximately 569.4 g/mol. It has a low solubility in water but is soluble in common organic solvents like DMSO and acetonitrile. The compound is moderately reactive towards nucleophiles and can undergo substitution reactions under appropriate conditions. It is stable under neutral and acidic conditions but decomposes under basic conditions.

How is 3-(2-Cyano-2-propanyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydro-6-quinazolinyl)amino]phenyl}benzamide (CAS: 878739-06-1) typically synthesized?

3-(2-Cyano-2-propanyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydro-6-quinazolinyl)amino]phenyl}benzamide is synthesized through multi-step reactions involving the condensation of anhydride with a substituted aromatic amine, followed by coupling with a quinazolinone derivative. The reaction is typically conducted under an inert atmosphere, and the yield can be improved by using anhydrous solvents and appropriate catalysts. High selectivity and yield are achieved by optimizing reaction conditions.

What industries use 3-(2-Cyano-2-propanyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydro-6-quinazolinyl)amino]phenyl}benzamide (CAS: 878739-06-1)?

3-(2-Cyano-2-propanyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydro-6-quinazolinyl)amino]phenyl}benzamide is primarily used in the pharmaceutical industry for the development of new drugs. It is also explored for its potential applications in the sensing technology and semiconductor industries due to its unique chemical properties.

What precautions should be taken when handling 3-(2-Cyano-2-propanyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydro-6-quinazolinyl)amino]phenyl}benzamide (CAS: 878739-06-1)?

When handling 3-(2-Cyano-2-propanyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydro-6-quinazolinyl)amino]phenyl}benzamide, it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize inhalation risk. Spills should be immediately addressed by sweeping or vacuuming, and the area should be cleaned with a suitable solvent. Always refer to the Safety Data Sheet (SDS) for specific handling and storage instructions.

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3-(2-Cyano-2-propanyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydro-6-quinazolinyl)amino]phenyl}benzamide | CAS No. 878739-06-1

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Solubility

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Safety Information

Hazard Statement

Hazard Class

Synonyms & References

English

MDL Number

Customs Code

FAQ

What are the physical and chemical properties of 3-(2-Cyano-2-propanyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydro-6-quinazolinyl)amino]phenyl}benzamide (CAS: 878739-06-1)?

How is 3-(2-Cyano-2-propanyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydro-6-quinazolinyl)amino]phenyl}benzamide (CAS: 878739-06-1) typically synthesized?

What industries use 3-(2-Cyano-2-propanyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydro-6-quinazolinyl)amino]phenyl}benzamide (CAS: 878739-06-1)?

What precautions should be taken when handling 3-(2-Cyano-2-propanyl)-N-{4-methyl-3-[(3-methyl-4-oxo-3,4-dihydro-6-quinazolinyl)amino]phenyl}benzamide (CAS: 878739-06-1)?

Related Compounds

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