Cas no 113231-14-4 (1,3-Benzenediol, 5-ethenyl-)

1,3-Benzenediol, 5-ethenyl- structure
1,3-Benzenediol, 5-ethenyl- structure
Product Name:1,3-Benzenediol, 5-ethenyl-
CAS No:113231-14-4
MF:C8H8O2
MW:136.147922515869
CID:97248
PubChem ID:12164063
Update Time:2025-04-18

1,3-Benzenediol, 5-ethenyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Benzenediol, 5-ethenyl-
    • 5-ethenylbenzene-1,3-diol
    • DTXSID20478964
    • SCHEMBL664775
    • 113231-14-4
    • 5-Ethenyl-1,3-benzenediol
    • 1,3-dihydroxy-5-vinylbenzene
    • 5-vinylbenzene-1,3-diol
    • LYECQNYXCRATFL-UHFFFAOYSA-N
    • 3,5-dihydroxystyrene
    • Inchi: 1S/C8H8O2/c1-2-6-3-7(9)5-8(10)4-6/h2-5,9-10H,1H2
    • InChI Key: LYECQNYXCRATFL-UHFFFAOYSA-N
    • SMILES: OC1C=C(C=C(C=C)C=1)O

Computed Properties

  • Exact Mass: 136.052429494g/mol
  • Monoisotopic Mass: 136.052429494g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 112
  • 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
  • XLogP3: 2
  • Topological Polar Surface Area: 40.5?2

1,3-Benzenediol, 5-ethenyl- Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Sodium hydride Solvents: Dimethyl sulfoxide ;  1 h, 70 °C; 70 °C → 0 °C
1.2 Solvents: Dimethyl sulfoxide ;  10 min, rt
1.3 Solvents: Dimethyl sulfoxide ;  1 h
1.4 Reagents: Water Solvents: Diethyl ether
Reference
An improved synthesis of resveratrol
Farina, Angela; Ferranti, Carolina; Marra, Carolina, Natural Product Research, 2006, 20(3), 247-252

1,3-Benzenediol, 5-ethenyl- Raw materials

1,3-Benzenediol, 5-ethenyl- Preparation Products

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