Product Name

  • Name

    Equol

  • EINECS 208-522-2
  • CAS No. 531-95-3
  • Article Data38
  • CAS DataBase
  • Density 1.286 g/cm3
  • Solubility Soluble in DMSO, methanol, or ethanol.
  • Melting Point 189-190 °C
  • Formula C15H14O3
  • Boiling Point 441.7 °C at 760 mmHg
  • Molecular Weight 242.274
  • Flash Point 220.9 °C
  • Transport Information
  • Appearance white to off-white solid
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 531-95-3 (Equol)
  • Hazard Symbols
  • 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, (-)-;
  • PSA 49.69000
  • LogP 2.81650

Synthetic route

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

dihydrodaidzein

equol
531-95-3

equol

Conditions
ConditionsYield
With Eggerthella sp. YY7918 at 37℃; for 72h;100%
daidzein
486-66-8

daidzein

equol
531-95-3

equol

Conditions
ConditionsYield
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

C29H26O3

equol
531-95-3

equol

Conditions
ConditionsYield
With 5%-palladium/activated carbon; hydrogen In tetrahydrofuran; methanol; water at 20℃; for 0.75h;100%
C36H29Br3O4
1208255-82-6

C36H29Br3O4

equol
531-95-3

equol

Conditions
ConditionsYield
Stage #1: C36H29Br3O4 With lithium aluminium tetrahydride In diethyl ether for 3h;
Stage #2: With water In diethyl ether Cooling with ice;		95%
(S)-7-(methoxymethoxy)-3-(4'-methoxymethoxy)-phenylchroman
922179-56-4

(S)-7-(methoxymethoxy)-3-(4'-methoxymethoxy)-phenylchroman

equol
531-95-3

equol

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

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

equol
531-95-3

equol

Conditions
ConditionsYield
With potassium carbonate In acetone at 50℃; for 8h;91%
With potassium carbonate In acetone at 50℃; for 8h;110 mg
(S)-7-methoxy-3-(4-methoxyphenyl)chromane
3722-56-3

(S)-7-methoxy-3-(4-methoxyphenyl)chromane

equol
531-95-3

equol

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

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

equol
531-95-3

equol

Conditions
ConditionsYield
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%
ethylmagnesium iodide
10467-10-4

ethylmagnesium iodide

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

(S)-7-methoxy-3-(4-methoxyphenyl)chromane

equol
531-95-3

equol

Conditions
ConditionsYield
at 180℃;
daidzein
486-66-8

daidzein

A

(+)-Equol

(+)-Equol

B

equol
531-95-3

equol

Conditions
ConditionsYield
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
3,4-dihydro-7-hydroxy-3-(4-methoxyphenyl)-2H-1-benzopyran
10499-17-9

3,4-dihydro-7-hydroxy-3-(4-methoxyphenyl)-2H-1-benzopyran

A

(+)-Equol

(+)-Equol

B

equol
531-95-3

equol

Conditions
ConditionsYield
With aluminium trichloride; ethanethiol In dichloromethane at 0℃; for 1h;
equol
531-95-3, 66036-38-2, 94105-90-5

equol

A

(+)-Equol

(+)-Equol

B

equol
531-95-3

equol

Conditions
ConditionsYield
In ethanol; hexane for 0 - 0.283333h; Resolution of racemate;
With CYCLOBOND I 2000 RSP In formic acid; water; acetonitrile Resolution of racemate;
With cellulose (3,5-dimethylphenylcarbamate) coated reduced graphene oxide(at)silica gel In hexane; isopropyl alcohol at 25℃; Resolution of racemate; enantioselective reaction;
(S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-ol
917379-11-4

(S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-ol

equol
531-95-3

equol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 46 percent / 2-(di-tert-butylphosphino)-1,1'-binaphthyl; Cs2CO3; Pd(OAc)2 / toluene / 22 h / 50 °C
2: 66 percent / pyridine hydrochloride / 28 h / 150 °C
View Scheme
(S)-4-benzyl-3-((S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propanoyl)-2-oxazolidinone
917379-10-3

(S)-4-benzyl-3-((S)-3-(2-bromo-4-methoxyphenyl)-2-(4-methoxyphenyl)propanoyl)-2-oxazolidinone

equol
531-95-3

equol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 96 percent / LiAlH4 / tetrahydrofuran / 0.25 h / cooling
2: 46 percent / 2-(di-tert-butylphosphino)-1,1'-binaphthyl; Cs2CO3; Pd(OAc)2 / toluene / 22 h / 50 °C
3: 66 percent / pyridine hydrochloride / 28 h / 150 °C
View Scheme
4-Methoxyphenylacetic acid
104-01-8

4-Methoxyphenylacetic acid

equol
531-95-3

equol

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: SOCl2 / 2 h / Heating
2: 237 g / n-BuLi / tetrahydrofuran; hexane / -65 - 20 °C
3: 167.4 g / NaHMDS / tetrahydrofuran / 0.17 h / cooling
4: 96 percent / LiAlH4 / tetrahydrofuran / 0.25 h / cooling
5: 46 percent / 2-(di-tert-butylphosphino)-1,1'-binaphthyl; Cs2CO3; Pd(OAc)2 / toluene / 22 h / 50 °C
6: 66 percent / pyridine hydrochloride / 28 h / 150 °C
View Scheme
Multi-step reaction with 6 steps
1.1: acetic anhydride; triethylamine / 2 h / Reflux
2.1: C56H72IrNOP; hydrogen; triethylamine / methanol / 72 h / 70 °C / 9120.61 Torr
3.1: lithium aluminium tetrahydride / tetrahydrofuran / 2.25 h / 0 - 20 °C
3.2: 0 °C
4.1: carbon tetrabromide; triphenylphosphine / dichloromethane / 3 h / 20 °C / Cooling with ice
5.1: boron tribromide / dichloromethane / 19 h / -78 - 20 °C
6.1: potassium carbonate / acetone / 8 h / 50 °C
View Scheme
Multi-step reaction with 6 steps
1.1: oxalyl dichloride / benzene / 24 h / 20 °C
2.1: potassium carbonate; tetra(n-butyl)ammonium hydrogensulfate / dichloromethane; water / 20 °C
3.1: hydrogen; 10% Pd/C / ethyl acetate / 20 °C / 750.08 Torr
4.1: trimethylaluminum / dichloromethane; hexane / 0 - 20 °C / Inert atmosphere
4.2: Inert atmosphere
5.1: (R)-3,3'-bis[3,5-di(trifluoromethyl)phenyl]-1,1'-binaphthyl phosphate / cyclohexane / 60 h / 20 °C / Molecular sieve
6.1: hydrogen
6.2: 150 °C
View Scheme
Multi-step reaction with 8 steps
1.1: thionyl chloride / 2 h / Inert atmosphere
2.1: n-butyllithium / tetrahydrofuran / 2 h / -65 - -45 °C / Inert atmosphere
3.1: N-ethyl-N,N-diisopropylamine; di-n-butylboryl trifluoromethanesulfonate / dichloromethane / 3.5 h / -25 - -15 °C / Inert atmosphere
3.2: 1.83 h / -25 - 15 °C / Inert atmosphere
4.1: triethylsilane; trifluoroacetic acid / dichloromethane / 0.67 h / 0 - 20 °C / Inert atmosphere
5.1: hydrogenchloride / methanol / 0.5 h / Reflux; Inert atmosphere
6.1: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / 0 - 20 °C / Inert atmosphere
7.1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 6 h / 20 °C / Inert atmosphere
8.1: pyridine / 150 °C / Inert atmosphere
View Scheme
(4S)-3-<2-(4-Methoxyphenyl)-1-oxoethyl>-4-(phenylmethyl)-2-oxazolidinone
143589-97-3

(4S)-3-<2-(4-Methoxyphenyl)-1-oxoethyl>-4-(phenylmethyl)-2-oxazolidinone

equol
531-95-3

equol

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 167.4 g / NaHMDS / tetrahydrofuran / 0.17 h / cooling
2: 96 percent / LiAlH4 / tetrahydrofuran / 0.25 h / cooling
3: 46 percent / 2-(di-tert-butylphosphino)-1,1'-binaphthyl; Cs2CO3; Pd(OAc)2 / toluene / 22 h / 50 °C
4: 66 percent / pyridine hydrochloride / 28 h / 150 °C
View Scheme
4-methoxyphenyl-acetic chloride
4693-91-8

4-methoxyphenyl-acetic chloride

equol
531-95-3

equol

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: 237 g / n-BuLi / tetrahydrofuran; hexane / -65 - 20 °C
2: 167.4 g / NaHMDS / tetrahydrofuran / 0.17 h / cooling
3: 96 percent / LiAlH4 / tetrahydrofuran / 0.25 h / cooling
4: 46 percent / 2-(di-tert-butylphosphino)-1,1'-binaphthyl; Cs2CO3; Pd(OAc)2 / toluene / 22 h / 50 °C
5: 66 percent / pyridine hydrochloride / 28 h / 150 °C
View Scheme
Multi-step reaction with 5 steps
1.1: potassium carbonate; tetra(n-butyl)ammonium hydrogensulfate / dichloromethane; water / 20 °C
2.1: hydrogen; 10% Pd/C / ethyl acetate / 20 °C / 750.08 Torr
3.1: trimethylaluminum / dichloromethane; hexane / 0 - 20 °C / Inert atmosphere
3.2: Inert atmosphere
4.1: (R)-3,3'-bis[3,5-di(trifluoromethyl)phenyl]-1,1'-binaphthyl phosphate / cyclohexane / 60 h / 20 °C / Molecular sieve
5.1: hydrogen
5.2: 150 °C
View Scheme
Multi-step reaction with 7 steps
1.1: n-butyllithium / tetrahydrofuran / 2 h / -65 - -45 °C / Inert atmosphere
2.1: N-ethyl-N,N-diisopropylamine; di-n-butylboryl trifluoromethanesulfonate / dichloromethane / 3.5 h / -25 - -15 °C / Inert atmosphere
2.2: 1.83 h / -25 - 15 °C / Inert atmosphere
3.1: triethylsilane; trifluoroacetic acid / dichloromethane / 0.67 h / 0 - 20 °C / Inert atmosphere
4.1: hydrogenchloride / methanol / 0.5 h / Reflux; Inert atmosphere
5.1: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / 0 - 20 °C / Inert atmosphere
6.1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 6 h / 20 °C / Inert atmosphere
7.1: pyridine / 150 °C / Inert atmosphere
View Scheme
7-Hydroxy-3-(4-methoxy-phenyl)-chromen-4-on
485-72-3

7-Hydroxy-3-(4-methoxy-phenyl)-chromen-4-on

equol
531-95-3

equol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 68 percent / acetic acid; ammonium formate / Pd(OH)2 / 1 h / Heating
2: aluminum trichloride; ethane thiol / CH2Cl2 / 1 h / 0 °C
View Scheme
C16H17BrO3

C16H17BrO3

equol
531-95-3

equol

Conditions
ConditionsYield
With potassium carbonate In acetone
daidzein
486-66-8

daidzein

A

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

dihydrodaidzein

B

C15H12O3

C15H12O3

C

idronoxil
81267-65-4

idronoxil

D

equol
531-95-3

equol

Conditions
ConditionsYield
With 5%-palladium/activated carbon; hydrogen; acetic acid In ethanol at 20℃; for 10h;
...Expand
(S)-3-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)propan-1-ol
1057663-19-0

(S)-3-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)propan-1-ol

equol
531-95-3

equol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: carbon tetrabromide; triphenylphosphine / dichloromethane / 3 h / 20 °C / Cooling with ice
2: boron tribromide / dichloromethane / 19 h / -78 - 20 °C
3: potassium carbonate / acetone / 8 h / 50 °C
View Scheme
(S)-1-(3-bromo-2-(4-methoxyphenyl)propyl)-2,4-dimethoxy-benzene
1057663-20-3

(S)-1-(3-bromo-2-(4-methoxyphenyl)propyl)-2,4-dimethoxy-benzene

equol
531-95-3

equol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: boron tribromide / dichloromethane / 19 h / -78 - 20 °C
2: potassium carbonate / acetone / 8 h / 50 °C
View Scheme
Stage #1: (S)-1-(3-bromo-2-(4-methoxyphenyl)propyl)-2,4-dimethoxy-benzene With boron tribromide In dichloromethane at -78 - 20℃; for 19h; Inert atmosphere;
Stage #2: With potassium carbonate In acetone at 50℃; for 8h;		63.1 mg
(S)-3-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)propionic acid
1383121-29-6

(S)-3-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)propionic acid

equol
531-95-3

equol

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: lithium aluminium tetrahydride / tetrahydrofuran / 2.25 h / 0 - 20 °C
1.2: 0 °C
2.1: carbon tetrabromide; triphenylphosphine / dichloromethane / 3 h / 20 °C / Cooling with ice
3.1: boron tribromide / dichloromethane / 19 h / -78 - 20 °C
4.1: potassium carbonate / acetone / 8 h / 50 °C
View Scheme
(E)-3-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)acrylic acid
73867-36-4

(E)-3-(2,4-dimethoxyphenyl)-2-(4-methoxyphenyl)acrylic acid

equol
531-95-3

equol

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: C56H72IrNOP; hydrogen; triethylamine / methanol / 72 h / 70 °C / 9120.61 Torr
2.1: lithium aluminium tetrahydride / tetrahydrofuran / 2.25 h / 0 - 20 °C
2.2: 0 °C
3.1: carbon tetrabromide; triphenylphosphine / dichloromethane / 3 h / 20 °C / Cooling with ice
4.1: boron tribromide / dichloromethane / 19 h / -78 - 20 °C
5.1: potassium carbonate / acetone / 8 h / 50 °C
View Scheme
2,4-Dimethoxybenzaldehyde
613-45-6

2,4-Dimethoxybenzaldehyde

equol
531-95-3

equol

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: acetic anhydride; triethylamine / 2 h / Reflux
2.1: C56H72IrNOP; hydrogen; triethylamine / methanol / 72 h / 70 °C / 9120.61 Torr
3.1: lithium aluminium tetrahydride / tetrahydrofuran / 2.25 h / 0 - 20 °C
3.2: 0 °C
4.1: carbon tetrabromide; triphenylphosphine / dichloromethane / 3 h / 20 °C / Cooling with ice
5.1: boron tribromide / dichloromethane / 19 h / -78 - 20 °C
6.1: potassium carbonate / acetone / 8 h / 50 °C
View Scheme
Multi-step reaction with 6 steps
1.1: pyridine; piperidine / 3.5 h / 125 °C
2.1: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / Reflux; Inert atmosphere
3.1: pyridinium chlorochromate / dichloromethane / 1 h / 20 °C / Molecular sieve
4.1: copper(I) bromide; sodium hydrogencarbonate; (2R,5R)-2-tert-butyl-3-methyl-5-phenyl-4-imidazolidinone trichloroacetic acid salt / toluene; diethyl ether / 44 h / 20 °C
5.1: sodium tetrahydroborate / methanol; dichloromethane; toluene; diethyl ether / 1 h / 23 °C
5.2: 3 h / 0 - 20 °C
6.1: boron tribromide / dichloromethane / 19 h / -78 - 20 °C / Inert atmosphere
6.2: 8 h / 50 °C
View Scheme
7-methoxy-3-(4-methoxyphenyl)-2H-chromen-2-one
3173-00-0

7-methoxy-3-(4-methoxyphenyl)-2H-chromen-2-one

equol
531-95-3

equol

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: hydrogen; 10% Pd/C / ethyl acetate / 20 °C / 750.08 Torr
2.1: trimethylaluminum / dichloromethane; hexane / 0 - 20 °C / Inert atmosphere
2.2: Inert atmosphere
3.1: (R)-3,3'-bis[3,5-di(trifluoromethyl)phenyl]-1,1'-binaphthyl phosphate / cyclohexane / 60 h / 20 °C / Molecular sieve
4.1: hydrogen
4.2: 150 °C
View Scheme
7-methoxy-3-(4-methoxyphenyl)hydrocoumarin
1404301-54-7

7-methoxy-3-(4-methoxyphenyl)hydrocoumarin

equol
531-95-3

equol

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: trimethylaluminum / dichloromethane; hexane / 0 - 20 °C / Inert atmosphere
1.2: Inert atmosphere
2.1: (R)-3,3'-bis[3,5-di(trifluoromethyl)phenyl]-1,1'-binaphthyl phosphate / cyclohexane / 60 h / 20 °C / Molecular sieve
3.1: hydrogen
3.2: 150 °C
View Scheme
2-(2-(1,3-dithian-2-ylidene)-2-(4-methoxyphenyl)ethyl)-5-methoxyphenol
1404301-69-4

2-(2-(1,3-dithian-2-ylidene)-2-(4-methoxyphenyl)ethyl)-5-methoxyphenol

equol
531-95-3

equol

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: (R)-3,3'-bis[3,5-di(trifluoromethyl)phenyl]-1,1'-binaphthyl phosphate / cyclohexane / 60 h / 20 °C / Molecular sieve
2.1: hydrogen
2.2: 150 °C
View Scheme
2-Hydroxy-4-methoxybenzaldehyde
673-22-3

2-Hydroxy-4-methoxybenzaldehyde

equol
531-95-3

equol

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: potassium carbonate; tetra(n-butyl)ammonium hydrogensulfate / dichloromethane; water / 20 °C
2.1: hydrogen; 10% Pd/C / ethyl acetate / 20 °C / 750.08 Torr
3.1: trimethylaluminum / dichloromethane; hexane / 0 - 20 °C / Inert atmosphere
3.2: Inert atmosphere
4.1: (R)-3,3'-bis[3,5-di(trifluoromethyl)phenyl]-1,1'-binaphthyl phosphate / cyclohexane / 60 h / 20 °C / Molecular sieve
5.1: hydrogen
5.2: 150 °C
View Scheme
Multi-step reaction with 7 steps
1.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 0.5 h / Cooling with ice; Inert atmosphere
1.2: 20 h / Inert atmosphere
2.1: N-ethyl-N,N-diisopropylamine; di-n-butylboryl trifluoromethanesulfonate / dichloromethane / 3.5 h / -25 - -15 °C / Inert atmosphere
2.2: 1.83 h / -25 - 15 °C / Inert atmosphere
3.1: triethylsilane; trifluoroacetic acid / dichloromethane / 0.67 h / 0 - 20 °C / Inert atmosphere
4.1: hydrogenchloride / methanol / 0.5 h / Reflux; Inert atmosphere
5.1: lithium aluminium tetrahydride / tetrahydrofuran / 4 h / 0 - 20 °C / Inert atmosphere
6.1: triphenylphosphine; di-isopropyl azodicarboxylate / tetrahydrofuran / 6 h / 20 °C / Inert atmosphere
7.1: pyridine / 150 °C / Inert atmosphere
View Scheme
equol
531-95-3

equol

methyl iodide
74-88-4

methyl iodide

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

(S)-7-methoxy-3-(4-methoxyphenyl)chromane

Conditions
ConditionsYield
With potassium carbonate In acetone at 60℃; Schlenk technique; Inert atmosphere;97%
dimethylallyl diphosphate
358-72-5

dimethylallyl diphosphate

equol
531-95-3

equol

A

4'-(dimethylallyl)equol

4'-(dimethylallyl)equol

B

7-(dimethylallyl)equol

7-(dimethylallyl)equol

Conditions
ConditionsYield
With recombinant O-prenyltransferase from Antrodia camphorata In aq. buffer at 37℃; for 12h; pH=7; Enzymatic reaction;A 27.3%
B 15.6%
...Expand
dimethyl sulfate
77-78-1

dimethyl sulfate

equol
531-95-3

equol

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

(S)-7-methoxy-3-(4-methoxyphenyl)chromane

Conditions
ConditionsYield
With sodium hydroxide
equol
531-95-3

equol

(S)-7-Benzoyloxy-3-(4-benzoyloxy-phenyl)-chroman

(S)-7-Benzoyloxy-3-(4-benzoyloxy-phenyl)-chroman

equol
531-95-3

equol

(-)-Di-O-acetyl-equol
21140-91-0

(-)-Di-O-acetyl-equol

equol
531-95-3

equol

potassium hydroxide

potassium hydroxide

A

4-hydroxysalicylic acid
89-86-1

4-hydroxysalicylic acid

B

4-[2-(4-hydroxy-phenyl)-propenyl]-resorcinol

4-[2-(4-hydroxy-phenyl)-propenyl]-resorcinol

C

4-hydroxy-benzoic acid
99-96-7

4-hydroxy-benzoic acid

Conditions
ConditionsYield
at 240℃;
...Expand
chloro-trimethyl-silane
75-77-4

chloro-trimethyl-silane

1,1,1,3,3,3-hexamethyl-disilazane
999-97-3

1,1,1,3,3,3-hexamethyl-disilazane

equol
531-95-3

equol

C21H30O3Si2
81910-32-9

C21H30O3Si2

Conditions
ConditionsYield
With pyridine at 65℃; for 0.5h;
...Expand
N-methyl-N-tert-butyldimethylsilyl-1,1,1-trifluoroacetamide
77377-52-7

N-methyl-N-tert-butyldimethylsilyl-1,1,1-trifluoroacetamide

tert-butyldimethylsilyl chloride
18162-48-6

tert-butyldimethylsilyl chloride

equol
531-95-3

equol

C27H42O3Si2

C27H42O3Si2

Conditions
ConditionsYield
at 100℃; for 1h;
...Expand
bromobutyric acid
2623-87-2

bromobutyric acid

equol
531-95-3

equol

C23H26O7

C23H26O7

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 25℃; for 4h;

EQUOL Chemical Properties

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

EQUOL 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.

EQUOL Toxicity Data With Reference

1.    

msc-hmn-oth 1 µmol/L/24H

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

EQUOL 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

EQUOL 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.

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