1,3-Benzenediol,5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]- supplier

Name
isorhapontigenin
EINECS 803-480-7
CAS No. 32507-66-7
Article Data8
CAS DataBase
Density 1.345 g/cm³
Solubility
Melting Point 182 - 184oC
Formula C₁₅H₁₄O₄
Boiling Point 471.8 °C at 760 mmHg
Molecular Weight 258.274
Flash Point 239.1 °C
Transport Information
Appearance Off white Crystals power
Safety 26-36/37/39
Risk Codes 37/38-41-43-51
Molecular Structure
Hazard Symbols Xi
Synonyms 1,3-Benzenediol,5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-, (E)-;3,4',5-Stilbenetriol,3'-methoxy-, (E)- (8CI);Isorhapontigenin;Isorhapotigenin;Isorhapotogenin;
PSA 69.92000
LogP 2.98240

1,3-Benzenediol,5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]- Specification

The 1,3-Benzenediol,5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-, with the CAS registry number 32507-66-7, is also known as 5-[(E)-2-(4-Hydroxy-3-methoxyphenyl)vinyl]benzene-1,3-diol. This chemical's molecular formula is C₁₅H₁₄O₄ and molecular weight is 258.2693. Its systematic name is called 5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol.

Physical properties of 1,3-Benzenediol,5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 2.9; (3)ACD/LogD (pH 7.4): 2.9; (4)ACD/BCF (pH 5.5): 94.87; (5)ACD/BCF (pH 7.4): 93.07; (6)ACD/KOC (pH 5.5): 905.33; (7)ACD/KOC (pH 7.4): 888.19; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.722; (12)Molar Refractivity: 75.96 cm³; (13)Molar Volume: 191.9 cm³; (14)Surface Tension: 64.3 dyne/cm; (15)Density: 1.345 g/cm³; (16)Flash Point: 239.1 °C; (17)Enthalpy of Vaporization: 76.26 kJ/mol; (18)Boiling Point: 471.8 °C at 760 mmHg; (19)Vapour Pressure: 1.6E-09 mmHg at 25°C.

Preparation of 1,3-Benzenediol,5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-: this chemical can be prepared by trans-3,4',5-Trihydroxy-3'-methoxystilben-3-O-β-D-glucopyranosid. This reaction is a kind of Enzymatic reaction.

1,3-Benzenediol,5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]- can be prepared by trans-3,4',5-Trihydroxy-3'-methoxystilben-3-O-β-D-glucopyranosid

Uses of 1,3-Benzenediol,5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-: it can be used to produce 3',4,5'-Trihydroxy-3-methoxy-1,2-diphenylethane. This reaction will need reagent H₂, catalyst Pd/C and solvent aq. ethanol. The yield is about 89%.

1,3-Benzenediol,5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]- can be used to produce 3',4,5'-Trihydroxy-3-methoxy-1,2-diphenylethane

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1OC)\C=C\c2cc(O)cc(O)c2
(2)InChI: InChI=1/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+
(3)InChIKey: ANNNBEZJTNCXHY-NSCUHMNNBY

Product Name

isorhapontigenin

1,3-Benzenediol,5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]- Specification

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