Cas no 83864-78-2 (Obovatol)

Obovatol structure
Obovatol structure
Product Name:Obovatol
CAS No:83864-78-2
MF:C18H18O3
MW:282.333725452423
CID:724111
PubChem ID:100771
Update Time:2024-10-26

Obovatol Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzenediol,5-(2-propen-1-yl)-3-[4-(2-propen-1-yl)phenoxy]-
    • Obovatol
    • 1,2-Benzenediol, 5-(2-propenyl)-3-[4-(2-propenyl)phenoxy]- (9CI)
    • 5-(2-Propen-1-yl)-3-[4-(2-propen-1-yl)phenoxy]-1,2-benzenediol (ACI)
    • NSC 364150
    • H6SZX78NXA
    • 83864-78-2
    • AC-36774
    • obovator
    • obvatol
    • FS-8182
    • 5-(PROP-2-EN-1-YL)-3-[4-(PROP-2-EN-1-YL)PHENOXY]BENZENE-1,2-DIOL
    • 5-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene-1,2-diol
    • DTXSID601003992
    • 5-(2-Propen-1-yl)-3-[4-(2-propen-1-yl)phenoxy]-1,2-benzenediol
    • 1,2-Benzenediol, 5-(2-propenyl)-3-(4-(2-propenyl)phenoxy)-
    • AKOS040760602
    • Q15634039
    • 1,2-Benzenediol, 5-(2-propenyl)-3-[4-(2-propenyl)phenoxy]-
    • SCHEMBL454929
    • NSC-364150
    • UNII-H6SZX78NXA
    • NSC364150
    • 4',5-Diallyl-2,3-dihydroxybiphenyl ether
    • CHEMBL491809
    • 5-allyl-3-(4-allylphenoxy)benzene-1,2-diol
    • DA-48994
    • Inchi： 1S/C18H18O3/c1-3-5-13-7-9-15(10-8-13)21-17-12-14(6-4-2)11-16(19)18(17)20/h3-4,7-12,19-20H,1-2,5-6H2
    • InChI Key： OPGPFZQBCIAFLI-UHFFFAOYSA-N
    • SMILES： OC1C(O)=C(OC2C=CC(CC=C)=CC=2)C=C(CC=C)C=1

Computed Properties

  • Exact Mass: 282.126
  • Monoisotopic Mass: 282.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 333
  • 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
  • Topological Polar Surface Area: 49.7A^2
  • XLogP3: 4.9

Experimental Properties

  • Color/Form: Oil
  • Density: 1.149
  • Boiling Point: 413.6°C at 760 mmHg
  • Flash Point: 203.9°C
  • Refractive Index: 1.601
  • PSA: 49.69000
  • LogP: 4.34710

Obovatol Pricemore >>

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Obovatol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Cesium carbonate Catalysts: N,N-Dimethylglycine ,  Cuprous iodide Solvents: 1,4-Dioxane ;  48 h, 90 °C
2.1 Reagents: Boron tribromide Solvents: Dichloromethane ;  30 min, -78 °C; 2 h, -78 °C → rt
2.2 Reagents: Methanol ;  rt
Reference
Concise synthesis of Obovatol: Chemoselective ortho-bromination of phenol and survey of Cu-catalyzed diaryl ether couplings
Kwak, Jae-Hwan; et al, Archives of Pharmacal Research, 2008, 31(12), 1559-1563

Production Method 2

Reaction Conditions
1.1 Reagents: Chloro(1-methylethyl)magnesium Solvents: Diethyl ether ,  Tetrahydrofuran ;  -78 °C; 30 min, -78 °C
1.2 Reagents: 1,3-Dibromo-5,5-dimethylhydantoin Solvents: Tetrahydrofuran ;  3 h, -78 °C
1.3 Reagents: Ammonium chloride Solvents: Water ;  -78 °C
2.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  30 min, rt
2.2 2 h, rt
2.3 Reagents: Ammonium chloride Solvents: Water ;  rt
3.1 Reagents: Cesium carbonate Catalysts: N,N-Dimethylglycine ,  Cuprous iodide Solvents: 1,4-Dioxane ;  48 h, 90 °C
4.1 Reagents: Boron tribromide Solvents: Dichloromethane ;  30 min, -78 °C; 2 h, -78 °C → rt
4.2 Reagents: Methanol ;  rt
Reference
Concise synthesis of Obovatol: Chemoselective ortho-bromination of phenol and survey of Cu-catalyzed diaryl ether couplings
Kwak, Jae-Hwan; et al, Archives of Pharmacal Research, 2008, 31(12), 1559-1563

Production Method 3

Reaction Conditions
1.1 Reagents: Boron tribromide Solvents: Dichloromethane ;  30 min, -78 °C; 2 h, -78 °C → rt
1.2 Reagents: Methanol ;  rt
Reference
Concise synthesis of Obovatol: Chemoselective ortho-bromination of phenol and survey of Cu-catalyzed diaryl ether couplings
Kwak, Jae-Hwan; et al, Archives of Pharmacal Research, 2008, 31(12), 1559-1563

Production Method 4

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  30 min, rt
1.2 2 h, rt
1.3 Reagents: Ammonium chloride Solvents: Water ;  rt
2.1 Reagents: Cesium carbonate Catalysts: N,N-Dimethylglycine ,  Cuprous iodide Solvents: 1,4-Dioxane ;  48 h, 90 °C
3.1 Reagents: Boron tribromide Solvents: Dichloromethane ;  30 min, -78 °C; 2 h, -78 °C → rt
3.2 Reagents: Methanol ;  rt
Reference
Concise synthesis of Obovatol: Chemoselective ortho-bromination of phenol and survey of Cu-catalyzed diaryl ether couplings
Kwak, Jae-Hwan; et al, Archives of Pharmacal Research, 2008, 31(12), 1559-1563

Obovatol Raw materials

Obovatol Preparation Products

Obovatol Suppliers

Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:83864-78-2)Obovatol
Order Number:CRN0718
Stock Status:in stock
Quantity:5mg/20mg/50mg
Purity:≥98%
Pricing Information Last Updated:Friday, 14 March 2025 10:55
Price ($):

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Purity:≥98%
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