Cas no 64469-16-5 (1,4-Naphthalenedione,2-(1,1-dimethyl-2-propen-1-yl)-3-hydroxy-)

1,4-Naphthalenedione,2-(1,1-dimethyl-2-propen-1-yl)-3-hydroxy- structure
64469-16-5 structure
Product Name:1,4-Naphthalenedione,2-(1,1-dimethyl-2-propen-1-yl)-3-hydroxy-
CAS No:64469-16-5
MF:C15H14O3
MW:242.269864559174
CID:518576
Update Time:2025-04-19

1,4-Naphthalenedione,2-(1,1-dimethyl-2-propen-1-yl)-3-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Naphthalenedione,2-(1,1-dimethyl-2-propen-1-yl)-3-hydroxy-
    • 4-hydroxy-3-(2-methylbut-3-en-2-yl)naphthalene-1,2-dione
    • Inchi： 1S/C15H14O3/c1-4-15(2,3)11-12(16)9-7-5-6-8-10(9)13(17)14(11)18/h4-8,18H,1H2,2-3H3
    • InChI Key： NKUYBNCXFLAOEC-UHFFFAOYSA-N
    • SMILES： CC(C1C(=O)C2C(=CC=CC=2)C(=O)C=1O)(C=C)C

Computed Properties

  • Exact Mass: 242.09432
  • Monoisotopic Mass: 242.094
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 443
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0

Experimental Properties

  • Density: 1.252
  • Boiling Point: 381.4°Cat760mmHg
  • Flash Point: 198.6°C
  • Refractive Index: 1.609
  • PSA: 54.37
  • LogP: 3.08990

1,4-Naphthalenedione,2-(1,1-dimethyl-2-propen-1-yl)-3-hydroxy- Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: 1-Adamantanecarboxylic acid ,  Tetrakis(triphenylphosphine)palladium ;  1 h, reflux
Reference
Palladium-catalyzed allylation of 2-hydroxy-1,4-naphthoquinone. Application to the preparation of lapachol
Kazantzi, Georgia; Malamidou-Xenikaki, Elizabeth; Spyroudis, Spyros, Synlett, 2007, (3), 427-430

1,4-Naphthalenedione,2-(1,1-dimethyl-2-propen-1-yl)-3-hydroxy- Raw materials

1,4-Naphthalenedione,2-(1,1-dimethyl-2-propen-1-yl)-3-hydroxy- Preparation Products

1,4-Naphthalenedione,2-(1,1-dimethyl-2-propen-1-yl)-3-hydroxy- Related Literature

Related Categories

64469-16-5 (1,4-Naphthalenedione,2-(1,1-dimethyl-2-propen-1-yl)-3-hydroxy-) Related Products

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