CAS No.480-47-7,hydrangenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	480-47-7
Name:	hydrangenol
Article Data:	16

Formula:	C₁₅H₁₂O₄
Molecular Weight:	256.258
Synonyms:	1H-2-Benzopyran-1-one,3,4-dihydro-8- hydroxy-3-(4-hydroxyphenyl)-;8-Hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one;Hydrangenol;8-Hydroxy-3-(4-hydroxyphenyl)isochroman-1-one;8-Hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-isochromen-1-one;AC1L3ODH;AC1Q6MGO;CCRIS 8569;
EINECS:	200-258-5
Density:	1.386 g/cm³
Boiling Point:	528.3 °C at 760 mmHg
Flash Point:	206.4 °C
PSA:	66.76000
LogP:	2.55200

Synthetic route

: 82780-51-6
(+/-)-3-(4-methoxyphenyl)-8-methoxy-3,4-dihydroisocoumarin

: 480-47-7
hydrangenol

Conditions

Conditions	Yield
With boron tribromide In dichloromethane at -78 - 25℃;	94%
With boron tribromide In dichloromethane 1.) -78 deg C , 1 h , 2.) -78 deg C to RT , 12 h;	94%
With boron tribromide In dichloromethane at -78 - 20℃;	88%

: 637774-32-4
3-(4'-benzyloxyphenyl)-8-hydroxy-3,4-dihydro-2-benzopyran-1-one

: 480-47-7
hydrangenol

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethyl acetate under 3750.3 Torr;	84%

: 6-<2-(4-benzyloxyphenyl)ethenyl>salicylic acid

: 480-47-7
hydrangenol

Conditions

Conditions	Yield
With hydrogenchloride In methanol for 4h; Heating;	81%

: 491-79-2, 113428-99-2
Hydrangeaic acid

A: 480-47-7
hydrangenol

: (+/-)-hydromacrophyllol B

: (+/-)-hydromacrophyllol A

Conditions

Conditions	Yield
With copper dichloride In acetone for 3h; Heating;	A 75% B 11.2% C 5.1%

...Expand

: 67600-94-6
Hydrangenol-8-O-glucoside

: 480-47-7
hydrangenol

Conditions

Conditions	Yield
With sulfuric acid at 80 - 90℃; for 1h;	73.5%

: 1093748-41-4
methyl 2-(tert-butyldimethylsilyloxy)-6-(bromomethyl)-benzoate

: 120743-99-9
p-[(tert-butyldimethylsilyl)oxy]benzaldehyde

: 480-47-7
hydrangenol

Conditions

Conditions	Yield
Stage #1: methyl 2-(tert-butyldimethylsilyloxy)-6-(bromomethyl)-benzoate; p-[(tert-butyldimethylsilyl)oxy]benzaldehyde With titanocene(III) chloride In tetrahydrofuran at 20℃; for 17h; Stage #2: With sulfuric acid; water In tetrahydrofuran	51%

: 491-79-2, 113428-99-2
Hydrangeaic acid

: 480-47-7
hydrangenol

Conditions

Conditions	Yield
at 180℃;

(Ξ)-8-β-D-glucopyranosyloxy-3-<4-hydroxy-phenyl>-isochroman-1-one: (Ξ)-8-β-D-glucopyranosyloxy-3-<4-hydroxy-phenyl>-isochroman-1-one

: 480-47-7
hydrangenol

Conditions

Conditions	Yield
With sulfuric acid

: 1-[4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-2-[2-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-ethanol

: 480-47-7
hydrangenol

Conditions

Conditions	Yield
Stage #1: 1-[4-(tert-butyl-dimethyl-silanyloxy)-phenyl]-2-[2-(4,4-dimethyl-4,5-dihydro-oxazol-2-yl)-phenyl]-ethanol With Trimethyl borate; sec.-butyllithium In tetrahydrofuran; hexane; cyclohexane at -78 - 20℃; Stage #2: With dihydrogen peroxide In acetic acid at 20℃; Stage #3: With trifluoroacetic acid In tetrahydrofuran; water Heating; Further stages.;

: 79383-44-1
methyl 2-methyl-6-methoxybenzoate

: 480-47-7
hydrangenol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 92 percent / NBS; AIBN / CCl4 2: 53 percent / Cp2TiCl2 / tetrahydrofuran / 20 °C 3: 88 percent / BBr3 / CH2Cl2 / -78 - 20 °C View Scheme

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Specification

The 3,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one with CAS registry number of 480-47-7 is also known as 1H-2-Benzopyran-1-one,3,4-dihydro-8- hydroxy-3-(4-hydroxyphenyl)-. The IUPAC name is 8-Hydroxy-3-(4-hydroxyphenyl)-3,4-dihydroisochromen-1-one. In addition, the formula is C₁₅H₁₂O₄ and the molecular weight is 256.25.

Physical properties about 3,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 50.13; (6)ACD/BCF (pH 7.4): 49.61; (7)ACD/KOC (pH 5.5): 573.53; (8)ACD/KOC (pH 7.4): 567.5; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.661; (13)Molar Refractivity: 68.37 cm³; (14)Molar Volume: 184.8 cm³; (15)Surface Tension: 62.7 dyne/cm; (16)Density: 1.386 g/cm³; (17)Flash Point: 206.4 °C; (18)Enthalpy of Vaporization: 83.33 kJ/mol; (19)Boiling Point: 528.3 °C at 760 mmHg; (20)Vapour Pressure: 8.86E-12 mmHg at 25 °C.

Preparation of 3,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one: it is prepared by reaction of 8-glucopyranosyloxy-3-(4-hydroxy-phenyl)-isochroman-1-one. The reaction needs reagent 0.5 M H₂SO₄ at 80-90 °C. The yield is about 73.5%.

3,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one is prepared by reaction of 8-glucopyranosyloxy-3-(4-hydroxy-phenyl)-isochroman-1-one.

Uses of 3,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one: it is used to produce 3,4'-dihydroxy-bibenzyl-2-carboxylic acid. The reaction occurs with reagent NaBH₄, PdCl₂ and solvent methanol at ambient temperature for 1 hour. The yield is about 99.6%.

3,4-Dihydro-8-hydroxy-3-(4-hydroxyphenyl)-1H-2-benzopyran-1-one is used to produce 3,4'-dihydroxy-bibenzyl-2-carboxylic acid.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1C(OC(=O)C2=C1C=CC=C2O)C3=CC=C(C=C3)O
2. InChI: InChI=1S/C15H12O4/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13,16-17H,8H2
3. InChIKey: DGKDFNDHPXVXHW-UHFFFAOYSA-N