3-[2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one supplier

Name
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one
EINECS 239-479-8
CAS No. 15462-91-6
Article Data11
CAS DataBase
Density 1.124g/cm³
Solubility
Melting Point 156-157 °C
Formula C22H26 O6
Boiling Point 552.7°Cat760mmHg
Molecular Weight 386.445
Flash Point 239.8°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzophenone,2-(1-ethylacetonyl)-3',4,4',5-tetramethoxy- (6CI,8CI);3-[2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one;3-[2-[(3,4-Dimethoxyphenyl)carbonyl]-4,5-dimethoxyphenyl]pentan-2-one
PSA 71.06000
LogP 4.03460

Synthetic route

: C24H34O6

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

Conditions

Conditions	Yield
With silica gel In dichloromethane; sulfuric acid for 2h;	93%

: 4483-47-0
1-(3,4-dimethoxy-phenyl)-3-ethyl-5,6-dimethoxy-2-methyl-indane

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

Conditions

Conditions	Yield
With hydrogenchloride; dihydrogen peroxide; acetic acid; copper(II) oxide In water at 3 - 25℃; for 10h; Reagent/catalyst; Temperature;	88.2%

: 2029-86-9
1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-ethyl-3-methylisochroman

A: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

B: 102719-50-6
2-(3,4-dimethoxybenzoyl)-4,5-dimethoxypropiophenone

Conditions

Conditions	Yield
With chromium(VI) oxide; sulfuric acid In water; acetone for 2h; Ambient temperature;	A 48% B 24%

: {4,5-dimethoxy-2-[1-(2-methyl-[1,3]dioxolan-2-yl)propyl]phenyl}(3,4-dimethoxyphenyl)methanone

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

Conditions

Conditions	Yield
With sulfuric acid In dichloromethane at 20℃; for 2h;	32%

: 186581-53-3, 908094-01-9
diazomethane

: 2-(1-ethyl-2-oxo-propyl)-5,4'-dihydroxy-4,3'-dimethoxy-benzophenone

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

Conditions

Conditions	Yield
With methanol

: 82005-37-6
1-ethyl-3-(3,4-dimethoxy-phenyl)-5,6-dimethoxy-2-methyl-indene

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

Conditions

Conditions	Yield
With chromium(VI) oxide; acetic acid

: 2029-86-9
1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-4-ethyl-3-methylisochroman

: 64-19-7
acetic acid

chromium (VI)-oxide: chromium (VI)-oxide

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

...Expand

5.6-dimethoxy-2t-methyl-1r-ethyl-3c-<3.4-dimethoxy-phenyl>-indan: 5.6-dimethoxy-2t-methyl-1r-ethyl-3c-<3.4-dimethoxy-phenyl>-indan

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

Conditions

Conditions	Yield
With chromium(VI) oxide; acetic acid

: 4483-47-0, 15161-79-2, 22688-51-3, 22688-52-4, 22688-53-5, 62211-17-0
(+-)-1r-ethyl-3c-(3,4-dimethoxy-phenyl)-5,6-dimethoxy-2t-methyl-indan

: 64-19-7
acetic acid

CrO3 (2 mol): CrO3 (2 mol)

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

Conditions

Conditions	Yield
at 15 - 20℃;

...Expand

: 4483-47-0, 15161-79-2, 22688-51-3, 22688-52-4, 22688-53-5, 62211-17-0
(+-)-1r-ethyl-3c-(3,4-dimethoxy-phenyl)-5,6-dimethoxy-2t-methyl-indan

: 64-19-7
acetic acid

CrO3 (3.3 mol): CrO3 (3.3 mol)

A: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

B: 7249-36-7
2-(3,4-Dimethoxy-benzoyl)-4,5-dimethoxy-benzoic acid

C: 93-07-2
Veratric acid

Conditions

Conditions	Yield
at 15 - 20℃;

...Expand

: 120-14-9
3,4-dimethoxy-benzaldehyde

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 92 percent / HCl gas / dioxane / 1 h / Heating 2: 48 percent / chromium trioxide, 35percent H2SO4 / acetone; H2O / 2 h / Ambient temperature View Scheme

: 3-(3,4-dimethoxyphenyl)pentan-2-one

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium borohydride 2: 92 percent / HCl gas / dioxane / 1 h / Heating 3: 48 percent / chromium trioxide, 35percent H2SO4 / acetone; H2O / 2 h / Ambient temperature View Scheme

: 102728-10-9
3-(3,4-dimethoxyphenyl)-2-pentanol

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 92 percent / HCl gas / dioxane / 1 h / Heating 2: 48 percent / chromium trioxide, 35percent H2SO4 / acetone; H2O / 2 h / Ambient temperature View Scheme

: 2-ethyl-1-(3,4-dimethoxyphenyl)butan-1,3-dione

: 4,5-dimethoxy-2-(trimethylsilyl)phenyl trifluoromethanesulfonate

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

Conditions

Conditions	Yield
With cesium fluoride In acetonitrile at 60℃; for 10h;

: 97-54-1
2-methoxy-4-propenylphenol

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sulfuric acid / methanol / 2 h / Reflux 2: sodium hydroxide / methanol 3: hydrogenchloride; dihydrogen peroxide; copper(II) oxide; acetic acid / water / 10 h / 3 - 25 °C View Scheme

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

: 1576-35-8
toluene-4-sulfonic acid hydrazide

: 98352-06-8
4-Ethyl-6,7-dimethoxy-1-(3,4-dimethoxyphenyl)-3-methylisoquinoline-N-p-toluenesulphonylimine

Conditions

Conditions	Yield
hydrogenchloride In ethanol for 0.333333h; Heating;	85%

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

: 613-94-5
benzoic acid hydrazide

: 98352-07-9
4-Ethyl-6,7-dimethoxy-1-(3,4-dimethoxyphenyl)-3-methylisoquinoline-N-benzoylimine

Conditions

Conditions	Yield
hydrogenchloride In ethanol for 0.333333h; Heating;	63%

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

: 22345-47-7, 914303-48-3, 914303-49-4, 914303-50-7, 914303-51-8
tofisopam

Conditions

Conditions	Yield
With hydrazine hydrate In ethanol for 1h; Heating;	60%
Stage #1: 3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one With hydrogenchloride; hydrazine hydrate; acetic acid In methanol; water at 20 - 27℃; for 2h; Stage #2: With ammonium hydroxide In water for 1h;

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

: 7697-37-2
nitric acid

: 64-19-7
acetic acid

A: 5629-55-0
2,3,6,7-tetramethoxy-9,10-anthraquinone

B: 7249-36-7
2-(3,4-Dimethoxy-benzoyl)-4,5-dimethoxy-benzoic acid

...Expand

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

aq.-ethanolic NaOH: aq.-ethanolic NaOH

: 15462-94-9
1-ethyl-4-(3,4-dimethoxy-phenyl)-6,7-dimethoxy-[2]naphthol

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

: 7697-37-2
nitric acid

: 64-19-7
acetic acid

: 740836-53-7
10-acetyl-2,3,6,7-tetramethoxy-anthrone

Conditions

Conditions	Yield
Erwaermen der mit Wasser verduennten Reaktionsloesung;

...Expand

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

mineral acid: mineral acid

6.7-dimethoxy-3-methyl-4-ethyl-1-<3.4-dimethoxy-phenyl>-isochromenylium salts: 6.7-dimethoxy-3-methyl-4-ethyl-1-<3.4-dimethoxy-phenyl>-isochromenylium salts

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

: 90140-50-4
3-acetyl-1-(3,4-dimethoxyphenyl)-7,8-dimethoxy-5-ethyl-4-methyl-3H-2,3-benzodiazepine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 60 percent / hydrazin hydrate 98percent / ethanol / 1 h / Heating 2: 64 percent / 3 h / Heating View Scheme

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

: 54080-15-8
3-Acetyl-1-(3,4-dimethoxyphenyl)-5-ethyl-4,5-dihydro-7,8-dimethoxy-4-methylen-3H-2,3-benzodiazepin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 60 percent / hydrazin hydrate 98percent / ethanol / 1 h / Heating 2: 20 percent / 3 h / Heating View Scheme

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

: 1-(3,4-dimethoxyphenyl)-7,8-dimethoxy-5-ethyl-4-methyl-3,4-dihydro-5H-2,3-benzodiazepine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 60 percent / hydrazin hydrate 98percent / ethanol / 1 h / Heating 2: 82 percent / sodium borohydride / methanol / 2 h / Ambient temperature View Scheme

: 15462-91-6
3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

: 5629-55-0
2,3,6,7-tetramethoxy-9,10-anthraquinone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: acetic acid; nitric acid / und Erwaermen der mit Wasser versetzten Reaktionsloesung 2: acetic acid; nitric acid / 100 °C View Scheme

3-[2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one Chemical Properties

Molecular Structure of 3-[2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one (CAS No.15462-91-6):

Molecular Formula: C₂₂H₂₆O₆
Molecular Weight: 386.4382
IUPAC Name: 3-[2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one
CAS No: 15462-91-6
H bond acceptors: 6
H bond donors: 0
Freely Rotating Bonds: 9
Polar Surface Area: 71.06 Å²
Index of Refraction: 1.53
Molar Refractivity: 106.24 cm³
Molar Volume: 343.7 cm³
Surface Tension: 37.9 dyne/cm
Density: 1.124 g/cm³
Flash Point: 239.8 °C
Enthalpy of Vaporization: 83.34 kJ/mol
Boiling Point: 552.7 °C at 760 mmHg
Vapour Pressure: 2.91E-12 mmHg at 25°C
InChI: InChI=1/C₂₂H₂₆O₆/c1-7-15(13(2)23)16-11-20(27-5)21(28-6)12-17(16)22(24)14-8-9-18(25-3)19(10-14)26-4/h8-12,15H,7H2,1-6H3
InChIKey: ZWUMDFWFKWDFBI-UHFFFAOYAU
Std. InChI: InChI=1S/C₂₂H₂₆O₆/c1-7-15(13(2)23)16-11-20(27-5)21(28-6)12-17(16)22(24)14-8-9-18(25-3)19(10-14)26-4/h8-12,15H,7H2,1-6H3
Std. InChIKey: ZWUMDFWFKWDFBI-UHFFFAOYSA-N
Synonyms of 3-[2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one (CAS No.15462-91-6): 2-pentanone,3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]- ; 3-(2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl)pentan-2-one ; 3-[2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one ; Benzophenone, 2-(1-ethylacetonyl)-3',4,4',5-tetramethoxy-
Product Categories: Intermediate of tofisopam

Product Name

3-[2-(3,4-dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one

Synthetic route

3-[2-(3,4-Dimethoxybenzoyl)-4,5-dimethoxyphenyl]pentan-2-one Chemical Properties

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