CAS No.531-95-3,Equol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	531-95-3
Name:	Equol
Article Data:	38

Formula:	C₁₅H₁₄O₃
Molecular Weight:	242.274
Synonyms:	2H-1-Benzopyran-7-ol,3,4-dihydro-3-(4-hydroxyphenyl)-, (S)-;4',7-Isoflavandiol (6CI,7CI,8CI);(-)-(S)-Equol;(-)-Equol;(S)-(-)-4',7-Isoflavandiol;(S)-Equol;4',7-Dihydroxyisoflavan;Equol, (-)-;
EINECS:	208-522-2
Density:	1.286 g/cm³
Melting Point:	189-190 °C
Boiling Point:	441.7 °C at 760 mmHg
Flash Point:	220.9 °C
Solubility:	Soluble in DMSO, methanol, or ethanol.
Appearance:	white to off-white solid
PSA:	49.69000
LogP:	2.81650

Synthetic route

: 17238-05-0, 37054-07-2, 58865-02-4
dihydrodaidzein

: 531-95-3
equol

Conditions

Conditions	Yield
With Eggerthella sp. YY7918 at 37℃; for 72h;	100%

: 486-66-8
daidzein

: 531-95-3
equol

Conditions

Conditions	Yield
With Eggerthella sp. YY7918 at 37℃; for 72h;	100%
With 5%-palladium/activated carbon; hydrogen; acetic acid In ethanol; water at 20℃; under 760.051 Torr; for 10h;	95%

: C29H26O3

: 531-95-3
equol

Conditions

Conditions	Yield
With 5%-palladium/activated carbon; hydrogen In tetrahydrofuran; methanol; water at 20℃; for 0.75h;	100%

: 1208255-82-6
C36H29Br3O4

: 531-95-3
equol

Conditions

Conditions	Yield
Stage #1: C36H29Br3O4 With lithium aluminium tetrahydride In diethyl ether for 3h; Stage #2: With water In diethyl ether Cooling with ice;	95%

: 922179-56-4
(S)-7-(methoxymethoxy)-3-(4'-methoxymethoxy)-phenylchroman

: 531-95-3
equol

Conditions

Conditions	Yield
With hydrogenchloride; methanol In dichloromethane at 4.8 - 20℃; for 6h;	93%
With hydrogenchloride In tetrahydrofuran; methanol; water at 60℃; for 0.333333h; Inert atmosphere;	92%

: 1383121-33-2
(S)-4-(3-bromo-2-(4-hydroxyphenyl)propyl)benzene-1,3-diol

: 531-95-3
equol

Conditions

Conditions	Yield
With potassium carbonate In acetone at 50℃; for 8h;	91%
With potassium carbonate In acetone at 50℃; for 8h;	110 mg

: 3722-56-3
(S)-7-methoxy-3-(4-methoxyphenyl)chromane

: 531-95-3
equol

Conditions

Conditions	Yield
With pyridine at 150℃; Inert atmosphere;	88%
With pyridine hydrogenfluoride In neat (no solvent) at 150℃; for 48h; Inert atmosphere;	82%
With pyridine hydrochloride at 160℃; for 48h; Inert atmosphere; Schlenk technique;	72%
With pyridine hydrochloride at 150℃; for 28h;	66%

: 1404301-87-6
(S)-7-methoxy-3-(4-methoxyphenyl)spiro[chroman-2,2'-[1,3]dithiane]

: 531-95-3
equol

Conditions

Conditions	Yield
Stage #1: (S)-7-methoxy-3-(4-methoxyphenyl)spiro[chroman-2,2'-[1,3]dithiane] With hydrogen Stage #2: With pyridine; hydrogenchloride at 150℃;	63%

: 10467-10-4
ethylmagnesium iodide

: 3722-56-3
(S)-7-methoxy-3-(4-methoxyphenyl)chromane

: 531-95-3
equol

Conditions

Conditions	Yield
at 180℃;

: 486-66-8
daidzein

A: (+)-Equol

B: 531-95-3
equol

Conditions

Conditions	Yield
With ammonium formate; acetic acid; palladium dihydroxide for 1h; Heating;
Multi-step reaction with 3 steps 1: palladium 10% on activated carbon; ammonium formate / methanol / 4 h / 50 °C / Inert atmosphere 2: [(1S,2S)-N-(p-toluensulfonyl)-1,2-diphenylethanediamine](p-cymene)ruthenium (I); triethylamine; hydrogen / methanol / 19 h / 60 °C / 7500.75 Torr / Inert atmosphere; Autoclave 3: palladium 10% on activated carbon; acetic acid; hydrogen / methanol / 4 h / 60 °C / 5250.53 Torr / Autoclave View Scheme

Yield

With ammonium formate; acetic acid; palladium dihydroxide for 1h; Heating;

Multi-step reaction with 3 steps
1: palladium 10% on activated carbon; ammonium formate / methanol / 4 h / 50 °C / Inert atmosphere
2: [(1S,2S)-N-(p-toluensulfonyl)-1,2-diphenylethanediamine](p-cymene)ruthenium (I); triethylamine; hydrogen / methanol / 19 h / 60 °C / 7500.75 Torr / Inert atmosphere; Autoclave
3: palladium 10% on activated carbon; acetic acid; hydrogen / methanol / 4 h / 60 °C / 5250.53 Torr / Autoclave
View Scheme

Total:114 Page 1 of 3 1 2 3 Next>>

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Chemistry

IUPAC Name: (3S)-3-(4-Hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
The MF of Equol (CAS NO.531-95-3) is C₁₅H₁₄O₃.

The MW of Equol (CAS NO.531-95-3) is 242.27.
Synonyms of Equol (CAS NO.531-95-3): (3S)-3-(4-Hydroxyphenyl)-7-chromanol ; 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(4-hydroxyphenyl)-, (3S)- ; 3,4-Dihydro-3-(4-hydroxyphenyl)-(S)-2H-1-benzopyran-7-ol ; 7-Hydroxy-3-(4'-hydroxyphenyl)chroman
Product Categories: Iso-Flavones;Chiral Reagents;Heterocycles;Metabolites & Impurities
Apperance: White to Off-White Solid
Index of Refraction: 1.644
EINECS: 208-522-2
Density: 1.286 g/ml
Flash Point: 220.9 °C
Boiling Point: 441.7 °C
Melting Point: 189-190 °C

Uses

Equol (CAS NO.531-95-3) is used as receptor and binding activity.A human urinary metabolite of Daidzein. It is also a natural estrogenic metabolite from soy isoflavones.

Toxicity Data With Reference

msc-hmn-oth 1 µmol/L/24H

CALEDQ Cancer Letters (Shannon, Ireland). 142 (1999),111.

Safety Profile

Mutation data reported. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors.Safety information of Equol (CAS NO.531-95-3):
WGK Germany 3
F 3-10

Specification

Equol (4',7-isoflavandiol) is an isoflavandiol metabolized from daidzein, a type of isoflavone, by bacterial flora in the intestinesWhile endogenous estrogenic hormones such as estradiol are steroids, equol is a nonsteroidal estrogen. However, only about 30-50% of people have intestinal bacteria that make equol.Equol may have beneficial effects on the incidence of prostate cancer and physiological changes after menopause. Other benefits may be realized in treating male pattern baldness, acne, and other problems because it functions as a DHT blocker. S-Equol preferentially activates estrogen receptor type β.