2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one | CAS No. 83366-66-9

2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Basic Information

CAS Number

83366-66-9

Molecular Formula

C25H32ClN5O2

Molecular Weight

470.02 g/mol

AD

Basic Physical Properties

Melting Point

180-182°C

Solubility

DMSO: ~11 mg/mL at 60 °C

CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3

InChIKey

VRBKIVRKKCLPHA-UHFFFAOYSA-N

LogP

3.5519000000000025

Topological Polar Surface Area

55.53 Ų

Hydrogen Bond Donor/Acceptor

0 / 7

Complexity

649

Synonyms & References

English

  • HY-119209
  • Nefazodona
  • Nefazodonum [Latin]
  • Nefazodonum (Latin)
  • NCGC00165846-02
  • A840565
  • 2-(3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl)-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one #
  • NEFAZODONE [VANDF]
  • NEFAZODONE [INN]
  • DTXCID203357
  • EN300-6733613
  • HMS3264K04
  • Pharmakon1600-01502314
  • NEFAZODONE [WHO-DD]
  • NS00002455
  • Nefazodone (INN)
  • 59H4FCV1TF
  • NSC760344
  • 1-(3-(4-(3-Chlorpheyl-1-piperazinylpropyl)-3-ethyl-4,5-dihydro-4-(2-phenoxyethyl)-1,2,4-triazol-5-on
  • 3H-1,2,4-Triazol-3-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-
  • NEFAZODONE [MI]
  • DTXSID2023357
  • SMR000550487
  • Q416632
  • CCG-213026
  • N06AX06
  • CHEMBL623
  • BCP30990
  • 2-(3-(4-(3-chlorophenyl)piperazin-1-yl)propyl)-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
  • SR-01000759312-5
  • HMS3372C02

MDL Number

MFCD00865396

FAQ

What are the physical and chemical properties of 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 83366-66-9)?

2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is a crystalline compound with a high molecular weight. It has poor water solubility but good solubility in organic solvents such as DMSO. It is known for its high reactivity with nucleophiles and good stability in neutral to slightly acidic conditions.

How is 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 83366-66-9) typically synthesized?

2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is synthesized via a multi-step process involving the synthesis of key intermediates. Common methods include condensation reactions, followed by cyclization and alkylation steps. The use of appropriate catalysts and solvents is crucial for achieving high yields and selectivity.

What industries use 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 83366-66-9)?

2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is primarily used in the pharmaceutical industry for its potential therapeutic applications. It also finds application in the development of functional polymers and sensors, due to its unique chemical structure and reactivity.

What precautions should be taken when handling 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS: 83366-66-9)?

When handling 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, ensure the use of personal protective equipment (PPE) such as gloves, lab coat, and safety goggles. Store in a well-ventilated area and use a fume hood during synthesis. Follow standard laboratory safety protocols and keep a copy of the safety data sheet (SDS) on hand for reference.

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