Cas no 865536-65-8 (3-Keto fenretinide)

3-Keto fenretinide structure
3-Keto fenretinide structure
Product Name:3-Keto fenretinide
CAS No:865536-65-8
MF:C26H31NO3
MW:405.529247522354
MDL:MFCD16621123
CID:69092
PubChem ID:11258242
Update Time:2024-10-26

3-Keto fenretinide Chemical and Physical Properties

Names and Identifiers

    • 3-Keto fenretinide
    • 4-Oxofenretinide
    • 4-Oxo-N-(4-hydroxyphenyl)retinamide
    • (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenamide
    • N-(4-hydroxyphenyl)-4-oxoRetinamide
    • 4-Keto-4-HPR
    • 4-oxo-4-HPR
    • N-(4-Hydroxyphenyl)-4-oxoretinamide (ACI)
    • GLXC-10790
    • CS-0032037
    • TS-09001
    • 865536-65-8
    • CHEMBL5290345
    • HT9VGV5Y5X
    • AC-8975
    • N16824
    • PD098498
    • 4-oxo-4-HPR?
    • UNII-HT9VGV5Y5X
    • HY-109583
    • BCP20745
    • 3-Keto fenretinide 4-Oxofenretinide 4-Oxo-N-(4-hydroxyphenyl)retinamide 4-Keto-4-HPR 4-Oxo-4-HPR
    • (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)nona-2,4,6,8-tetraenamide
    • BDBM50407241
    • AKOS025402426
    • Retinamide, N-(4-hydroxyphenyl)-4-oxo-
    • DTXSID80460380
    • MDL： MFCD16621123
    • Inchi： 1S/C26H31NO3/c1-18(9-14-23-20(3)24(29)15-16-26(23,4)5)7-6-8-19(2)17-25(30)27-21-10-12-22(28)13-11-21/h6-14,17,28H,15-16H2,1-5H3,(H,27,30)/b8-6+,14-9+,18-7+,19-17+
    • InChI Key： NZVOGZATHCUFRC-KFJFTADJSA-N
    • SMILES： C(/C1=C(C)C(=O)CCC1(C)C)=C\C(\C)=C\C=C\C(\C)=C\C(=O)NC1C=CC(O)=CC=1

Computed Properties

  • Exact Mass: 405.23000
  • Monoisotopic Mass: 405.23039385g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 6
  • Complexity: 800
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 4
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.8
  • Topological Polar Surface Area: 66.4?2

Experimental Properties

  • Color/Form: Solid powder
  • Density: 1.131
  • Melting Point: 233-235?C
  • Boiling Point: 641.8°C at 760 mmHg
  • Flash Point: 341.9°C
  • Refractive Index: 1.615
  • PSA: 66.40000
  • LogP: 6.11430

3-Keto fenretinide Security Information

  • Signal Word：Warning
  • Storage Condition：Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).

3-Keto fenretinide Pricemore >>

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3-Keto fenretinide Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hexachloroacetone ,  Triphenylphosphine Solvents: Dichloromethane ;  -78 °C
1.2 Reagents: Pyridine ;  rt
Reference
Water-soluble derivatives of 4-oxo-N-(4-hydroxyphenyl) retinamide: synthesis and biological activity
Musso, Loana; et al, Chemical Biology & Drug Design, 2016, 88(4), 608-614

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Methanol ;  5 h, rt
2.1 Reagents: Hexachloroacetone ,  Triphenylphosphine Solvents: Dichloromethane ;  -78 °C
2.2 Reagents: Pyridine ;  rt
Reference
Water-soluble derivatives of 4-oxo-N-(4-hydroxyphenyl) retinamide: synthesis and biological activity
Musso, Loana; et al, Chemical Biology & Drug Design, 2016, 88(4), 608-614

Production Method 3

Reaction Conditions
1.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ;  24 h, rt
2.1 Reagents: Sodium hydroxide Solvents: Methanol ;  5 h, rt
3.1 Reagents: Hexachloroacetone ,  Triphenylphosphine Solvents: Dichloromethane ;  -78 °C
3.2 Reagents: Pyridine ;  rt
Reference
Water-soluble derivatives of 4-oxo-N-(4-hydroxyphenyl) retinamide: synthesis and biological activity
Musso, Loana; et al, Chemical Biology & Drug Design, 2016, 88(4), 608-614

Production Method 4

Reaction Conditions
1.1 Solvents: Methanol ,  Toluene ;  45 min, rt
2.1 Reagents: Manganese oxide (MnO2) Solvents: Dichloromethane ;  24 h, rt
3.1 Reagents: Sodium hydroxide Solvents: Methanol ;  5 h, rt
4.1 Reagents: Hexachloroacetone ,  Triphenylphosphine Solvents: Dichloromethane ;  -78 °C
4.2 Reagents: Pyridine ;  rt
Reference
Water-soluble derivatives of 4-oxo-N-(4-hydroxyphenyl) retinamide: synthesis and biological activity
Musso, Loana; et al, Chemical Biology & Drug Design, 2016, 88(4), 608-614

3-Keto fenretinide Raw materials

3-Keto fenretinide Preparation Products

3-Keto fenretinide Related Literature

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