Cas no 889443-20-3 (3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone)

3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone structure
889443-20-3 structure
Product Name:3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone
CAS No:889443-20-3
MF:C13H17NO3
MW:235.278983831406
CID:839667
Update Time:2024-10-26

3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone Chemical and Physical Properties

Names and Identifiers

    • Aripiprazole Related Compound
    • 3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone
    • 7-(4-hydroxybutoxy)-3,4-dihydro-1H-quinolin-2-one
    • 3,3,4,4,6,8-hexadeuterio-7-(4,4-dideuterio-4-hydroxybutoxy)-1H-quinolin-2-one
    • 7-(4-Hydroxybutoxy)-3,4-dihydroquinolin-2(1H)-one
    • 3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone (ACI)
    • 3,4-Dichlorophenyl-7-(4-hydroxybutoxy)-2(1 H)-quinolinone
    • Inchi: 1S/C13H17NO3/c15-7-1-2-8-17-11-5-3-10-4-6-13(16)14-12(10)9-11/h3,5,9,15H,1-2,4,6-8H2,(H,14,16)
    • InChI Key: KRICLZOCASGBRD-UHFFFAOYSA-N
    • SMILES: O=C1CCC2C(=CC(=CC=2)OCCCCO)N1

Computed Properties

  • Exact Mass: 235.12100

Experimental Properties

  • PSA: 62.05000
  • LogP: 1.80770

3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • Storage Condition:(BD763563)

3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone Pricemore >>

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3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Dichloromethane ,  Water ;  30 - 45 min, 25 - 35 °C
1.2 Solvents: Methanol ;  50 - 60 °C
Reference
Synthesis and characterization of N-oxides and metabolites of anti-psychotic drug, aripiprazole
Satyanarayana, Bollikonda; Sumalatha, Yasareni; Kumar, Sythana Suresh; Venkatraman, Sundaram; Reddy, Ghanta Mahesh; et al, Heterocyclic Communications, 2005, 11(6), 485-490

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Acetonitrile ;  10 h, reflux
Reference
Synthesis of aripiprazole
Zhao, Huiqing; Feng, Tingmei; Wu, Qiuye; Liao, Hongli, Zhongguo Yiyao Gongye Zazhi, 2006, 37(9), 580-581

Production Method 3

Reaction Conditions
1.1 Reagents: Zinc chloride Solvents: Tetrahydrofuran ;  4 h, rt
Reference
The Significance of Chirality in Drug Design and Synthesis of Bitopic Ligands as D3 Receptor (D3R) Selective Agonists
Battiti, Francisco O.; Cemaj, Sophie L.; Guerrero, Adrian M.; Shaik, Anver Basha; Lam, Jenny; et al, Journal of Medicinal Chemistry, 2019, 62(13), 6287-6314

3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone Raw materials

3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone Preparation Products

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