2-[(4S)-6-(4-Chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide | CAS No. 1380087-89-7

2-[(4S)-6-(4-Chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide

Basic Information

CAS Number

1380087-89-7

Molecular Formula

C20H16ClN3O2

Molecular Weight

365.82 g/mol

AD

Basic Physical Properties

Solubility

Insuluble (1.8E-3 g/L) (25 ºC),

Cc1c-2c(on1)[C@@H](N=C(c3c2cccc3)c4ccc(cc4)Cl)CC(=O)N

InChI

InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1

InChIKey

GCWIQUVXWZWCLE-INIZCTEOSA-N

LogP

4.070920000000003

Topological Polar Surface Area

81.48 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

561

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

  • CPI-0610
  • 2-[(4R)-6-(4-Chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide

MDL Number

MFCD28144505

FAQ

What are the physical and chemical properties of 2-[(4S)-6-(4-Chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide (CAS: 1380087-89-7)?

2-[(4S)-6-(4-Chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide (CAS: 1380087-89-7) exhibits crystalline form and has a molecular weight of approximately 449.13 g/mol. It has poor water solubility but is soluble in organic solvents like DMSO and acetonitrile. The compound is relatively stable but can react with strong bases under basic conditions. It is an amide with a high reactivity towards nucleophiles.

How is 2-[(4S)-6-(4-Chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide (CAS: 1380087-89-7) typically synthesized?

2-[(4S)-6-(4-Chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide (CAS: 1380087-89-7) is synthesized via multi-step reactions involving condensation and ring formation. Common precursors include 4-chloroaniline and 1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine. The synthesis typically yields 80-85% purity with high selectivity and good yield under optimized conditions.

What industries use 2-[(4S)-6-(4-Chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide (CAS: 1380087-89-7)?

2-[(4S)-6-(4-Chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide (CAS: 1380087-89-7) finds application in pharmaceuticals for its potential therapeutic effects. It is also used in research for developing new drug candidates. The compound is not commonly used in polymers, sensors, or semiconductors, but its structural complexity makes it a valuable intermediate in organic synthesis.

What precautions should be taken when handling 2-[(4S)-6-(4-Chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide (CAS: 1380087-89-7)?

When handling 2-[(4S)-6-(4-Chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide (CAS: 1380087-89-7), use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation of vapors. Ensure proper storage in a cool, dry place, away from incompatible materials. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.

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