1,7-Bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione supplier

Name
SabiWhite-
EINECS 609-201-3
CAS No. 36062-04-1
Article Data31
CAS DataBase
Density 1.222 g/cm³
Solubility
Melting Point 95-97 °C
Formula C₂₁H₂₄O₆
Boiling Point 564.1 °C at 760 mmHg
Molecular Weight 372.418
Flash Point 196.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,7-Bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione;HZIV 81-2;NSC 687845;Tetrahydrocurcumin;Tetrahydrodiferuloylmethane;
PSA 96.22000
LogP 3.69140

Synthetic route

: 52199-86-7
1,7-bis(4’-acetoxy-3’-methoxyphenyl)-3,5-heptadione

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

Conditions

Conditions	Yield
With water; sodium carbonate; sodium hydroxide In methanol; ethanol at 100℃; for 1h; Temperature; Reagent/catalyst; Solvent;	95%

: 458-37-7
curcumin

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

Conditions

Conditions	Yield
With platinum-iron-nickel hydroxide composite nanoparticle catalyst In ethanol at 24℃; for 1h;	92.9%
With palladium on activated charcoal; hydrogen In ethanol under 103.432 Torr; for 4h;	91.8%
With hydrogen; palladium on activated charcoal In ethyl acetate at 20℃; for 2h;	80%

: 458-37-7, 94875-80-6
curcumin

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

Conditions

Conditions	Yield
With 1,4-dihydropyridine; palladium on activated charcoal In ethanol for 8h; Reflux;	86%
With NADPH-dependent curcumin/dihydrocurcumin reductase from Escherichia coli DH10B; NADPH at 28℃; for 0.5h; Enzymatic reaction;
With platinum(IV) oxide

: 458-37-7
curcumin

A: 36062-05-2, 39886-84-5, 93559-28-5, 100667-55-8
hexahydrocurcumin

B: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

Conditions

Conditions	Yield
With palladium on activated charcoal	A 18% B 68%

: 458-37-7
curcumin

A: 36062-05-2, 39886-84-5, 93559-28-5, 100667-55-8
hexahydrocurcumin

B: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

C: 36062-07-4, 112494-41-4, 135413-63-7
1,7-bis-(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In ethanol at 20℃; under 760.051 Torr; for 4h;	A 20% B 64% C 15%
With 5% palladium on activated carbon; hydrogen In ethanol

...Expand

: 98885-93-9, 115851-80-4, 147556-16-9
curcumin

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In chloroform; ethyl acetate at 100℃; under 38000 Torr;	60.5%

: 98885-93-9, 115851-80-4, 147556-16-9
curcumin

A: 36062-05-2, 39886-84-5, 93559-28-5, 100667-55-8
hexahydrocurcumin

B: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

C: 36062-07-4, 112494-41-4, 135413-63-7
1,7-bis-(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol at 20℃; under 760 Torr; for 4h;	A 9% B 14% C 5%
With hydrogen; palladium on activated charcoal In methanol for 20h; Ambient temperature;	A 0.6 g B 1.8 g C 2.4 g
With hydrogen; palladium on activated charcoal In ethyl acetate under 2327.17 Torr;

...Expand

: 121-33-5
vanillin

5-fluoro-2-trifluoromethylbenzyl halide: 5-fluoro-2-trifluoromethylbenzyl halide

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: B2O3; B(OC4H9)3; n-BuNH2 / ethyl acetate 2: H2 / Pd-C / ethyl acetate View Scheme

: 123-54-6
acetylacetone

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: B2O3; B(OC4H9)3; n-BuNH2 / ethyl acetate 2: H2 / Pd-C / ethyl acetate View Scheme

: 115945-70-5
glucose

: 458-37-7
curcumin

A: 4,4'-di-O-(β-D-glucopyranosyl)curcumin

B: 387818-26-0
curcumin 4'-O-β-D-glucoside

C: 1352455-17-4
dihydrocurcumin-O-glucoside

D: 1352455-15-2
octahydrocurcumin-O-glucoside

E: hexahydrocurcumin-O-glucoside

F: 36062-05-2, 39886-84-5, 93559-28-5, 100667-55-8
hexahydrocurcumin

G: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

H: 36062-07-4, 112494-41-4, 135413-63-7
1,7-bis-(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione

I: (E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione

J: (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-diol

Conditions

Conditions	Yield
With Rhizopus chinensis IFFI 3043 at 25℃; for 24h; Microbiological reaction;

...Expand

: 458-37-7, 94875-80-6
curcumin

A: 917909-26-3
dihydrocurcumin

B: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

Conditions

Conditions	Yield
With NADPH-dependent curcumin/dihydrocurcumin reductase from Escherichia coli DH10B; NADPH at 28℃; Kinetics; Concentration; Time; Enzymatic reaction;

: 458-37-7
curcumin

A: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

B: (E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-1-ene-3,5-dione

Conditions

Conditions	Yield
With recombinant Vibrio vulnificus curcumin reductase; NADPH In aq. phosphate buffer; ethanol at 35℃; pH=6; Kinetics; Enzymatic reaction;

: 1135-24-6
(E)-3-(4-hydroxy-3-methoxyphenyl)acrylic acid

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: 5%-palladium/activated carbon; hydrogen / dichloromethane; methanol / 16 h / 2585.81 Torr 2.1: sodium hydroxide / water / 16 h / 20 °C / Cooling 3.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 1.17 h / 20 °C 4.1: sodium hydride / tetrahydrofuran; mineral oil / 1.17 h / 0 - 20 °C 4.2: 18 h / 20 °C 5.1: sodium chloride; water / dimethyl sulfoxide / 3 h / 150 °C 5.2: 3 h / 20 °C View Scheme
Multi-step reaction with 6 steps 1.1: 5%-palladium/activated carbon; hydrogen / dichloromethane; methanol / 16 h / 2585.81 Torr 2.1: sodium hydroxide / water / 16 h / 20 °C / Cooling 3.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 1.17 h / 20 °C 4.1: triethylamine; magnesium chloride / acetonitrile / 1 h / 0 °C 4.2: 18 h / 20 °C 5.1: sodium hydride / tetrahydrofuran; mineral oil / 1.17 h / 0 - 20 °C 5.2: 18 h / 20 °C 6.1: sodium chloride; water / dimethyl sulfoxide / 3 h / 150 °C 6.2: 3 h / 20 °C View Scheme

Yield

Multi-step reaction with 5 steps
1.1: 5%-palladium/activated carbon; hydrogen / dichloromethane; methanol / 16 h / 2585.81 Torr
2.1: sodium hydroxide / water / 16 h / 20 °C / Cooling
3.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 1.17 h / 20 °C
4.1: sodium hydride / tetrahydrofuran; mineral oil / 1.17 h / 0 - 20 °C
4.2: 18 h / 20 °C
5.1: sodium chloride; water / dimethyl sulfoxide / 3 h / 150 °C
5.2: 3 h / 20 °C
View Scheme

Multi-step reaction with 6 steps
1.1: 5%-palladium/activated carbon; hydrogen / dichloromethane; methanol / 16 h / 2585.81 Torr
2.1: sodium hydroxide / water / 16 h / 20 °C / Cooling
3.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 1.17 h / 20 °C
4.1: triethylamine; magnesium chloride / acetonitrile / 1 h / 0 °C
4.2: 18 h / 20 °C
5.1: sodium hydride / tetrahydrofuran; mineral oil / 1.17 h / 0 - 20 °C
5.2: 18 h / 20 °C
6.1: sodium chloride; water / dimethyl sulfoxide / 3 h / 150 °C
6.2: 3 h / 20 °C
View Scheme

: 1135-23-5
3-(4-hydroxy-3-methoxyphenyl)propionic acid

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sodium hydroxide / water / 16 h / 20 °C / Cooling 2.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 1.17 h / 20 °C 3.1: sodium hydride / tetrahydrofuran; mineral oil / 1.17 h / 0 - 20 °C 3.2: 18 h / 20 °C 4.1: sodium chloride; water / dimethyl sulfoxide / 3 h / 150 °C 4.2: 3 h / 20 °C View Scheme
Multi-step reaction with 5 steps 1.1: sodium hydroxide / water / 16 h / 20 °C / Cooling 2.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 1.17 h / 20 °C 3.1: triethylamine; magnesium chloride / acetonitrile / 1 h / 0 °C 3.2: 18 h / 20 °C 4.1: sodium hydride / tetrahydrofuran; mineral oil / 1.17 h / 0 - 20 °C 4.2: 18 h / 20 °C 5.1: sodium chloride; water / dimethyl sulfoxide / 3 h / 150 °C 5.2: 3 h / 20 °C View Scheme

Yield

Multi-step reaction with 4 steps
1.1: sodium hydroxide / water / 16 h / 20 °C / Cooling
2.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 1.17 h / 20 °C
3.1: sodium hydride / tetrahydrofuran; mineral oil / 1.17 h / 0 - 20 °C
3.2: 18 h / 20 °C
4.1: sodium chloride; water / dimethyl sulfoxide / 3 h / 150 °C
4.2: 3 h / 20 °C
View Scheme

Multi-step reaction with 5 steps
1.1: sodium hydroxide / water / 16 h / 20 °C / Cooling
2.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 1.17 h / 20 °C
3.1: triethylamine; magnesium chloride / acetonitrile / 1 h / 0 °C
3.2: 18 h / 20 °C
4.1: sodium hydride / tetrahydrofuran; mineral oil / 1.17 h / 0 - 20 °C
4.2: 18 h / 20 °C
5.1: sodium chloride; water / dimethyl sulfoxide / 3 h / 150 °C
5.2: 3 h / 20 °C
View Scheme

: C17H16O5

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 1.17 h / 20 °C 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1.17 h / 0 - 20 °C 2.2: 18 h / 20 °C 3.1: sodium chloride; water / dimethyl sulfoxide / 3 h / 150 °C 3.2: 3 h / 20 °C View Scheme
Multi-step reaction with 4 steps 1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 1.17 h / 20 °C 2.1: triethylamine; magnesium chloride / acetonitrile / 1 h / 0 °C 2.2: 18 h / 20 °C 3.1: sodium hydride / tetrahydrofuran; mineral oil / 1.17 h / 0 - 20 °C 3.2: 18 h / 20 °C 4.1: sodium chloride; water / dimethyl sulfoxide / 3 h / 150 °C 4.2: 3 h / 20 °C View Scheme

: C17H15ClO4

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: triethylamine; magnesium chloride / acetonitrile / 1 h / 0 °C 1.2: 18 h / 20 °C 2.1: sodium hydride / tetrahydrofuran; mineral oil / 1.17 h / 0 - 20 °C 2.2: 18 h / 20 °C 3.1: sodium chloride; water / dimethyl sulfoxide / 3 h / 150 °C 3.2: 3 h / 20 °C View Scheme

: C38H36O10

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

Conditions

Conditions	Yield
Stage #1: C38H36O10 With water; sodium chloride In dimethyl sulfoxide at 150℃; for 3h; Stage #2: With sodium methylate In methanol at 20℃; for 3h;	0.44 g

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 95-54-5
1,2-diamino-benzene

: 4,4'-((3H-benzo[b]-[1,4]-diazepine-2,4-diyl)bis(ethane-2,1-diyl))bis-(2-methoxyphenol)

Conditions

Conditions	Yield
With sulfuric acid In ethanol at 20℃;	97.5%

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 95-83-0
4-Chloro-1,2-phenylenediamine

: 4,4'-((7-chloro-3H-benzo[b]-[1,4]-diazepine-2,4-diyl)bis(ethane-2,1-diyl))bis-(2-methoxyphenol)

Conditions

Conditions	Yield
With sulfuric acid In ethanol at 20℃;	96.1%

: 5348-42-5
4,5-Dichloro-1,2-phenylenediamine

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 4,4’-((7,8-dichloro-3H-benzo[b]-[1,4]-diazepine-2,4-diyl)bis(ethane-2,1-diyl))bis-(2-methoxyphenol)

Conditions

Conditions	Yield
With sulfuric acid In ethanol at 20℃;	96.1%

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 719-59-5
2-Amino-5-chlorobenzophenone

: 1408335-44-3
1-(6-chloro-2-(4-hydroxy-3-methoxyphenethyl)-4-phenylquinolin-3-yl)-3-(4-hydroxy-3-methoxyphenyl)propan-1-one

Conditions

Conditions	Yield
With trifluoroacetic acid at 100℃; for 0.666667h;	95%

: C19H13Cl2NO

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 1-(6-chloro-4-(2-chlorophenyl)-2-(4-hydroxy-3-methoxyphenethyl)quinolin-3-yl)-3-(4-hydroxy-3-methoxyphenyl)propan-1-one

Conditions

Conditions	Yield
With trifluoroacetic acid at 100℃; for 1h;	95%

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 2835-77-0
(2-aminophenyl)(phenyl)methanone

: 1408335-42-1
1-(2-(4-hydroxy-3-methoxyphenethyl)-4-phenylquinolin-3-yl)-3-(4-hydroxy-3-methoxyphenyl)propan-1-one

Conditions

Conditions	Yield
With trifluoroacetic acid at 100℃; for 0.5h;	93%

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 1575-37-7
4-Bromo-benzene-1,2-diamine

: 4,4'-((7-bromo-3H-benzo[b]-[1,4]-diazepine-2,4-diyl)bis(ethane-2,1-diyl))bis-(2-methoxyphenol)

Conditions

Conditions	Yield
With sulfuric acid In ethanol at 20℃;	90.7%

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 36062-07-4, 112494-41-4, 135413-63-7
1,7-bis-(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione

Conditions

Conditions	Yield
With sodium tetrahydroborate In tetrahydrofuran at 20℃; for 5h;	89%
With sodium tetrahydroborate In 1,4-dioxane; water at 20℃; for 1h;	73.7%

: 367-31-7
4-fluoro-1,2-phenylenediamine

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 4,4'-((7-fluoro-3H-benzo[b]-[1,4]-diazepine-2,4-diyl)bis(ethane-2,1-diyl))bis-(2-methoxyphenol)

Conditions

Conditions	Yield
With sulfuric acid In ethanol at 20℃;	88.8%

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 150-13-0
4-amino-benzoic acid

: C28H28N2O8

Conditions

Conditions	Yield
Stage #1: 4-amino-benzoic acid With sodium nitrite In water at 3 - 5℃; for 0.25h; Stage #2: With hydrogenchloride In water for 0.0833333h; Stage #3: 1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione With sodium hydroxide In water at 25℃; for 0.5h; pH=10;	85.1%

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 107-15-3
ethylenediamine

: 4,4’-((3,6-dihydro-2H-1,4-diazepine 5,7-diyl)bis(ethane-2,1-diyl))bis-(2-methoxyphenol)

Conditions

Conditions	Yield
With sulfuric acid In ethanol at 20℃; for 2h;	85%

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 551-93-9
2-aminoacetophenone

: 1408335-41-0
1-(2-(4-hydroxy-3-methoxyphenethyl)-4-methylquinolin-3-yl)-3-(4-hydroxy-3-methoxyphenyl)propan-1-one

Conditions

Conditions	Yield
With trifluoroacetic acid at 100℃; for 0.666667h;	84%

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: (Z)-5-amino-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one

Conditions

Conditions	Yield
With ammonium acetate; toluene-4-sulfonic acid In ethanol for 2h;	80%

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 74-88-4
methyl iodide

: 1537182-88-9
1,7-bis(3,4-dimethoxyphenyl)-4,4-dimethylheptane-3,5-dione

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 72h;	79%

: 61-78-9
p-Aminohippuric acid

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: C30H31N3O9

Conditions

Conditions	Yield
Stage #1: p-Aminohippuric acid With sodium nitrite In water at 3 - 5℃; for 0.25h; Stage #2: With hydrogenchloride In water for 0.0833333h; Stage #3: 1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione With sodium hydroxide In water at 25℃; for 0.5h; pH=10;	78.23%

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 100-52-7
benzaldehyde

: 57-13-6
urea

: 1432038-10-2
6-(4-hydroxy-3-methoxyphenethyl)-5-(3-(4-hydroxy-3-methoxyphenyl)propanoyl)-4-phenyl-3,4-dihydropyrimidin-2(1H)-one

Conditions

Conditions	Yield
Stage #1: benzaldehyde; urea With copper(ll) sulfate pentahydrate In ethanol at 80℃; for 0.25h; Biginelli Pyrimidone Synthesis; Stage #2: 1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione In ethanol at 80℃; for 24h; Biginelli Pyrimidone Synthesis;	74%

...Expand

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: C21H25NO6

Conditions

Conditions	Yield
With pyridine; hydroxylamine hydrochloride at 20℃; for 1h;	70%

: 18330-94-4
2,5-diaminobenzophenone

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 1408335-45-4
1-(6-amino-2-(4-hydroxy-3-methoxyphenethyl)-4-phenylquinolin-3-yl)-3-(4-hydroxy-3-methoxyphenyl)propan-1-one

Conditions

Conditions	Yield
With trifluoroacetic acid at 100℃; for 1.5h;	70%

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 555-16-8
4-nitrobenzaldehdye

: 57-13-6
urea

: 1432038-14-6
C29H29N3O8

Conditions

Conditions	Yield
Stage #1: 4-nitrobenzaldehdye; urea With copper(ll) sulfate pentahydrate In ethanol at 80℃; for 0.25h; Biginelli Pyrimidone Synthesis; Stage #2: 1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione In ethanol at 80℃; for 24h; Biginelli Pyrimidone Synthesis;	67%

...Expand

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 113464-93-0
3,5-bis<β-(4-hydroxy-3-methoxyphenyl)ethyl>pyrazole

Conditions

Conditions	Yield
With hydrazine hydrate; acetic acid In ethanol; butan-1-ol at 60℃; for 24h;	65%

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 1775-95-7
2-amino-5-nitrobenzophenone

: 1408335-43-2
1-(2-(4-hydroxy-3-methoxyphenethyl)-6-nitro-4-phenylquinolin-3-yl)-3-(4-hydroxy-3-methoxyphenyl)propan-1-one

Conditions

Conditions	Yield
With trifluoroacetic acid at 100℃; for 2h;	65%

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 99-61-6
3-nitro-benzaldehyde

: 57-13-6
urea

: 1432038-13-5
C29H29N3O8

Conditions

Conditions	Yield
Stage #1: 3-nitro-benzaldehyde; urea With copper(ll) sulfate pentahydrate In ethanol at 80℃; for 0.25h; Biginelli Pyrimidone Synthesis; Stage #2: 1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione In ethanol at 80℃; for 24h; Biginelli Pyrimidone Synthesis;	59%

...Expand

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: 123-11-5
4-methoxy-benzaldehyde

A: 1,1'-(2,6-bis(4-hydroxy-3-methoxyphenethyl)-4-(4-methoxyphenyl)-1,4-dihydropyridine-3,5-diyl)bis-(3-(4-hydroxy-3-methoxyphenyl)propan-1-one)

B: (Z)-5-amino-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one

Conditions

Conditions	Yield
Stage #1: 1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione; 4-methoxy-benzaldehyde With toluene-4-sulfonic acid In ethanol at 80℃; for 0.333333h; Hantzsch Dihydropyridine Synthesis; Molecular sieve; Stage #2: With ammonium acetate In ethanol at 80℃; for 24h; Hantzsch Dihydropyridine Synthesis; Molecular sieve;	A 10% B 54%

...Expand

: [iridium(III)(μ-chloro)(2-phenylpyridine)2]2

: 36062-04-1
1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione

: C43H39IrN2O6

Conditions

Conditions	Yield
Stage #1: 1,7-bis(4-hydroxy-3-methoxyphenyl)-heptane-3,5-dione With sodium methylate In methanol at 0℃; for 1h; Stage #2: [iridium(III)(μ-chloro)(2-phenylpyridine)2]2 In methanol for 24h; Reflux;	54%

1,7-Bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione Specification

The IUPAC name of 1,7-Bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione is 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione. With the CAS registry number 36062-04-1, it is also named as Tetrahydrocurcumin. The product's molecular formula is C₂₁H₂₄O₆ and its molecular weight is 372.41.

The other characteristics of 1,7-Bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione can be summarized as: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.27; (6)ACD/BCF (pH 7.4): 23.76; (7)ACD/KOC (pH 5.5): 341.2; (8)ACD/KOC (pH 7.4): 334.07; (9)H bond acceptors: 6; (10)H bond donors: 2; (11)Freely Rotating Bonds: 12; (12)Polar Surface Area: 71.06 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 100.63 cm³; (15)Molar Volume: 304.5 cm³; (16)Polarizability: 39.89×10^-24cm³; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 1.222 g/cm³; (19)Flash Point: 196.2 °C; (20)Melting point: 95-97 °C; (21)Enthalpy of Vaporization: 87.91 kJ/mol; (22)Boiling Point: 564.1 °C at 760 mmHg; (23) Vapour Pressure: 2.5E-13 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
SMILES:O=C(CCc1ccc(O)c(OC)c1)CC(=O)CCc2cc(OC)c(O)cc2
InChI:InChI=1/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
InChIKey:LBTVHXHERHESKG-UHFFFAOYAG
Std. InChI:InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
Std. InChIKey:LBTVHXHERHESKG-UHFFFAOYSA-N

Product Name

SabiWhite-

Synthetic route

1,7-Bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione Specification

Related Products

Hot Products