Dimedone supplier | CasNO.126-81-8

Name
Dimedone
EINECS 204-804-4
CAS No. 126-81-8
Article Data56
CAS DataBase
Density 1.016 g/cm³
Solubility 0.416 g/100 mL (25 °C) in water
Melting Point 146-148 °C(lit.)
Formula C₈H₁₂O₂
Boiling Point 233.7 °C at 760 mmHg
Molecular Weight 140.182
Flash Point 85.1 °C
Transport Information
Appearance yellow crystals
Safety 36/37/38
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,1-Dimethyl-3,5-cyclohexanedione;1,1-Dimethyl-3,5-diketocyclohexane;5,5-Dimethyl-1,3-cyclohexandione;5,5-Dimethyl-1,3-cyclohexanedione;5,5-Dimethyldihydroresorcinol;5,5-Dimethylhydroresorcinol;Cyclomethone;Dimedon;Lu 274;Medon;Methon;Methone;NSC 14984;NSC 17544;NSC 242994;NSC 43759;
PSA 34.14000
LogP 1.33470

Synthetic route

: 5,5-dimethyl-3-propoxycyclohex-2-en-1-one

: 126-81-8
dimedone

Conditions

Conditions	Yield
With water In acetonitrile at 20℃; under 900.09 Torr; for 0.226667h; Flow reactor;	97%

: 13120-57-5
3-(benzyloxy)-5,5-dimethylcyclohex-2-enone

: 126-81-8
dimedone

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In tetrahydrofuran at 20℃; for 3h;	95%

: 70424-15-6
all-trans-retinylidene dimedone

A: 116-31-4
all-trans-Retinal

B: 126-81-8
dimedone

Conditions

Conditions	Yield
With methylamine In water; benzene for 0.25h; Product distribution; Mechanism; Ambient temperature; retro-Knoevenagel fragmentation; variation of reaction conditions;	A 91% B 75%

: 4683-45-8
3-methoxy-5,5-dimethyl-cyclohex-2-enone

: 126-81-8
dimedone

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In water; acetonitrile for 0.5h; Heating;	90%
beim Aufbewahren;

: 6267-39-6
3-ethoxy-5,5-dimethyl-2-cyclohexen-1-one

: 126-81-8
dimedone

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In water; acetonitrile for 0.5h; Heating;	89%

: 31928-99-1
3-allyloxy-5,5-dimethyl-cyclohex-2-enone

: 126-81-8
dimedone

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In water; acetonitrile for 1.5h; Heating;	87%

: 877823-42-2
5,5-dimethyl-3-(prop-2-ynyloxy)cyclohex-2-enone

: 126-81-8
dimedone

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In water; acetonitrile for 2h; Heating;	84%

: 79671-63-9
2-Diazo-3-hydroxy-5,5-dimethyl-1-cyclohexanone

A: 126-81-8
dimedone

B: 81887-97-0
4,4-dimethylcyclopentanone-2-carboxaldehyde

C: 81887-99-2
2-Diazo-5,5-dimethyl-3-cyclohexen-1-one

Conditions

Conditions	Yield
With sulfuric acid In tetrahydrofuran; water at 18 - 20℃; for 5h; Product distribution; Mechanism;	A 9% B 80% C 3%

...Expand

: 877823-43-3
5,5-dimethyl-3-(3-methyl-cyclohexyloxy)-cyclohex-2-enone

: 126-81-8
dimedone

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In water; acetonitrile for 3h; Heating;	75%

: 16690-04-3
2-benzoyl-5,5-dimethyl-1,3-cyclohexanedione

: 107-15-3
ethylenediamine

A: 936-49-2
2-phenyl-2-imidazoline

B: 126-81-8
dimedone

Conditions

Conditions	Yield
for 1h; Heating;	A 62% B n/a

...Expand

: 1455-77-2
guanazole

: 15782-02-2
9-(4-chlorophenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydroxanthene-1,8-dione

A: 2-amino-9-(4-chloro-phenyl)-6,6-dimethyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

B: 126-81-8
dimedone

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 0.166667h; Heating;	A 56% B n/a

...Expand

: 934-32-7
1H-benzimidazol-2-amine

: 19744-83-3
3,3,6,6-tetramethyl-9-phenyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8-(2H)-dione

A: 126-81-8
dimedone

B: 3,3-dimethyl-12-phenyl-1,2,3,4,5,12-hexatrahydro-[4,5]imidazolo [2,1-b]quinazolin-1-one

Conditions

Conditions	Yield
In N,N-dimethyl-formamide Heating;	A 0.13 g B 51%

...Expand

: 19744-83-3
3,3,6,6-tetramethyl-9-phenyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8-(2H)-dione

: 1455-77-2
guanazole

A: 872410-93-0
2-amino-6,6-dimethyl-9-phenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

B: 126-81-8
dimedone

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 0.166667h; Heating;	A 51% B n/a

...Expand

: 7560-94-3
2,2'-((4-methoxyphenyl)methylene)bis(3-hydroxy-5,5-dimethylcyclohex-2-enone)

A: 19419-25-1
9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

B: 126-81-8
dimedone

Conditions

Conditions	Yield
With zinc(II) chloride In water at 120℃; for 3h; Green chemistry;	A 47% B 37%

: 105071-90-7
triphenylbismuthonio-4,4-dimethyl-2,6-dioxocyclohexane-1-ide

: 536-74-3
phenylacetylene

A: 18150-87-3
6,6-dimethyl-4-oxo-2-phenyl-4,5,6,7-tetrahydrobenzofuran

B: 603-33-8
triphenylbismuthane

C: 126-81-8
dimedone

Conditions

Conditions	Yield
With copper(l) chloride In benzene for 1h; Product distribution; Heating; different alkynes;	A 31% B n/a C 13%

...Expand

: 17530-69-7
3-chloro-5,5-dimethylcyclohex-2-en-1-one

: 126-81-8
dimedone

Conditions

Conditions	Yield
With potassium hydroxide

: 504-20-1
phorone

: 64-17-5
ethanol

: 996-82-7
sodium diethylmalonate

: 126-81-8
dimedone

...Expand

: 504-20-1
phorone

: 996-82-7
sodium diethylmalonate

: 126-81-8
dimedone

Conditions

Conditions	Yield
With ethanol

: 51238-67-6
1,3-dichloro-5,5-dimethyl-cyclohexa-1,3-diene

: 126-81-8
dimedone

Conditions

Conditions	Yield
With hydrogen bromide; acetic acid Eingiessen der Loesung in Eiswasser;
With sulfuric acid

: 67-64-1
acetone

: 105-53-3
diethyl malonate

A: 4029-25-8
Ethyl 5,5-dimethylcyclohexane-1,3-dione-4-carboxylate

B: 126-81-8
dimedone

Conditions

Conditions	Yield
With diethyl ether; sodium ethanolate

...Expand

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

: 2033-24-1
cycl-isopropylidene malonate

A: 126-81-8
dimedone

B: 197520-90-4
6-Methoxy-2,2-dimethyl-[1,3]dioxin-4-one

Conditions

Conditions	Yield
In diethyl ether

...Expand

: 70134-04-2
3-piperidino-5,5-dimethyl-2-cyclohexene-1-thione

: 126-81-8
dimedone

Conditions

Conditions	Yield
With hydrogenchloride In propan-1-ol for 2.5h; Heating;	0.2 g

: 3471-13-4
dimedone

: 126-81-8
dimedone

Conditions

Conditions	Yield
In water Equilibrium constant; var. solvents and temp.;

: 2495-37-6
benzyl methacrylate

A: 50-00-0
formaldehyd

B: 126-81-8
dimedone

Conditions

Conditions	Yield
With sodium periodate; osmium(VIII) oxide In tert-butyl alcohol chemical degradation;

: 18940-21-1
5,5-dimethyl-3-(phenylamino)cyclohex-2-en-1-one

A: 126-81-8
dimedone

B: 62-53-3
aniline

Conditions

Conditions	Yield
With water at 25℃; Rate constant; Mechanism; pH range: 1-9;

: 70133-97-0
3-Amino-5,5-dimethyl-2-cyclohexene-1-thione

: 126-81-8
dimedone

Conditions

Conditions	Yield
With hydrogenchloride In propan-1-ol for 2.5h; Heating;	0.2 g

: 57966-11-7
3-N,N-dimethylamino-5,5-dimethyl-2-cyclohexene-1-thione

: 126-81-8
dimedone

Conditions

Conditions	Yield
With hydrogenchloride In propan-1-ol for 2.5h; Heating;	0.2 g

: 138421-72-4
5,5-dimethyl-3-oxocyclohex-1-enyl ethenylcarbamate

A: 19225-63-9
3,3,6,6-tetramethyl-9-methyl-1,2,3,4,5,6,7,8-octahydroxanthene-1,8-dione

B: 126-81-8
dimedone

C: 6504-96-7
1,3,5-triethenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 240h; Product distribution; var. temp. and time, other N-vinyl carboxamides;

...Expand

: 17372-26-8
sodium enolate of dimedone

: 94-36-0
dibenzoyl peroxide

A: 532-32-1
sodium benzoate

B: 70990-31-7
2,2-Bis(benzoyloxy)-5,5-dimethyl-1,3-cyclohexandion

C: 126-81-8
dimedone

D: 78102-75-7
2-Benzoyloxy-6-hydroxy-4,4-dimethyl-2,5-cyclohexadien-1-on

E: 70990-53-3
Monobenzoyloxydimedon

F: 65-85-0
benzoic acid

Conditions

Conditions	Yield
In acetonitrile at 20 - 25℃; Kinetics; Mechanism;

...Expand

: 99-61-6
3-nitro-benzaldehyde

: 126-81-8
dimedone

: 40588-50-9
3,3,6,6-tetramethyl-9-(3-nitrophenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Conditions

Conditions	Yield
With poly[(2-acrylamido-2-methylpropane sulfonic acid)-co-(acrylic acid)-co-(vinyl functionalized halloysite clay)] In water at 20℃; for 3h;	100%
With N-sulfonic acid poly(4-vinylpyridinium) chloride at 100℃; for 0.133333h;	98%
With cobalt (II) nanoparticles(att)SBA-15 In water at 60℃; for 0.5h; Green chemistry;	98%

: 100-52-7
benzaldehyde

: 126-81-8
dimedone

: 19744-83-3
3,3,6,6-tetramethyl-9-phenyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8-(2H)-dione

Conditions

Conditions	Yield
With poly[(2-acrylamido-2-methylpropane sulfonic acid)-co-(acrylic acid)-co-(vinyl functionalized halloysite clay)] In water at 20℃; for 3h;	100%
With sulfated polyborate catalyst In neat (no solvent) at 100℃; for 0.05h; Catalytic behavior; Temperature; Green chemistry;	99%
With acetic acid at 110℃; for 0.25h; Microwave irradiation;	98%

: 106-49-0
p-toluidine

: 126-81-8
dimedone

: 36646-78-3
3-(p-tolylamino)-5,5-dimethylcyclohex-2-enone

Conditions

Conditions	Yield
at 20℃; for 0.5h; Solid phase reaction; condensation;	100%
With fibrous nano silica sulfuric acid In neat (no solvent) at 80℃; for 0.0333333h; Green chemistry;	97%
With silica sulfuric acid In acetonitrile for 0.0194444h; Microwave irradiation;	96%

: 123-11-5
4-methoxy-benzaldehyde

: 126-81-8
dimedone

: 19419-25-1
9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene-1,8-dione

Conditions

Conditions	Yield
With poly[(2-acrylamido-2-methylpropane sulfonic acid)-co-(acrylic acid)-co-(vinyl functionalized halloysite clay)] In water at 20℃; for 3h;	100%
With N-sulfonic acid poly(4-vinylpyridinium) chloride at 100℃; for 0.166667h;	98%
With phospho sulphonic acid In neat (no solvent) at 110℃; for 0.5h; Green chemistry;	98%

: 463-51-4
Ketene

: 126-81-8
dimedone

: 18369-65-8
3-acetyloxy-5,5-dimethyl-2-cyclohexenone

Conditions

Conditions	Yield
With acetic anhydride for 0.25h; Ambient temperature;	100%
With benzene
With acetic acid

: 64-17-5
ethanol

: 126-81-8
dimedone

: 6267-39-6
3-ethoxy-5,5-dimethyl-2-cyclohexen-1-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 15.5h; Reflux; regioselective reaction;	100%
With Amberlyst-15 at 80℃; under 2475.25 Torr; for 0.0766667h; Flow reactor;	99%
With toluene-4-sulfonic acid In benzene for 6h; Reflux;	98%

: 485-47-2
indan-1,2,3-trione hydrate

: 126-81-8
dimedone

: 30511-21-8
2-hydroxy-2-(4,4-dimethyl-2,6-dioxocyclohexane-1-yl)-1H-indene-1,3(2H)-dione

Conditions

Conditions	Yield
at 20℃; for 1h;	100%
In water for 0.0166667h; Heating;	90%
With acetic acid at 20℃; for 0.5h;	62%

: 126-81-8
dimedone

: 78-94-4
methyl vinyl ketone

: 19757-98-3
5,5-dimethyl-2-(3-oxobutyl)-1,3-cyclohexanedione

Conditions

Conditions	Yield
aluminum oxide; potassium fluoride In tetrahydrofuran for 72h; Ambient temperature;	100%
With indium(III) chloride at 20℃; for 7h; Michael addition reaction;	78%
With potassium hydroxide

: 126-81-8
dimedone

: 1195-91-1
2-bromodimedone

Conditions

Conditions	Yield
With bromine; acetic acid at 20℃; for 2h;	100%
With bromine In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere;	99%
With bromine; acetic acid at 20℃;	98%

: 126-81-8
dimedone

: 873-95-0
1-amino-5,5-dimethylcyclohexen-3-one

Conditions

Conditions	Yield
With ammonium acetate In acetic acid; benzene Heating;	100%
With ammonium acetate In ethanol at 70℃; for 7h;	95%
With ammonium acetate; tetraethoxy orthosilicate In ethanol Heating;	94%

: 126-81-8
dimedone

: 104-94-9
4-methoxy-aniline

: 24706-48-7
3-[(4-methoxyphenyl)amino]-5,5-dimethylcyclohex-2-en-1-one

Conditions

Conditions	Yield
at 20℃; for 0.5h; Solid phase reaction; condensation;	100%
With silica-supported phosphorous pentoxide at 80℃; for 0.05h; Neat (no solvent); chemoselective reaction;	97%
With silica sulfuric acid In acetonitrile for 0.0166667h; Microwave irradiation;	97%

: 1532-72-5
isoquinoline N-oxide

: 126-81-8
dimedone

: 4-(1-isoquinolyl)dimedone

Conditions

Conditions	Yield
With acetic anhydride at 90℃; for 8h;	100%
With acetic anhydride In N,N-dimethyl-formamide at 90℃; for 8h; Product distribution; without DMF, reagent is the solvent;	69%

: 104-88-1
4-chlorobenzaldehyde

: 126-81-8
dimedone

: 139484-10-9
2-((4-chlorophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)methyl)-3-hydroxy-5,5-dimethylcyclohex-2-enone

Conditions

Conditions	Yield
at 50℃; for 1h; Knoevenagel condensation;	100%
With ZnO nanorod-decorated graphene oxide In water at 100℃; for 0.166667h; Catalytic behavior; Solvent; Temperature; Time;	99%
With nano Fe/NaY zeolite In ethanol for 1.16667h; Reflux;	98%

: 555-16-8
4-nitrobenzaldehdye

: 126-81-8
dimedone

: 7560-71-6
2,2'-(4-nitrophenylmethylene)bis(3-hydroxy-5,5-dimethyl-2-cyclohexene-1-one)

Conditions

Conditions	Yield
at 50℃; for 1h; Knoevenagel condensation;	100%
With NP (natural phosphate collected from an extracted ore in Yazd, Iran) In water at 20℃; for 2h; Green chemistry;	100%
With 4 A molecular sieves In ethanol for 5h; Reflux;	99%

: 100-52-7
benzaldehyde

: 126-81-8
dimedone

: 7600-00-2
bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)phenylmethane

Conditions

Conditions	Yield
at 100℃; for 1h; Knoevenagel condensation;	100%
With ethyl 2-cyanoacetate; 1-butyl-3-methylimidazolium Tetrafluoroborate at 20℃;	100%
In neat (no solvent) at 60℃; for 2h; Michael Addition;	100%

: 100-52-7
benzaldehyde

: 126-81-8
dimedone

: 2769-21-3
3,3,6,6-tetramethyl-9-phenyl-3,4,6,7,9,10-hexahydro-2H,5H-acridine-1,8-dione

Conditions

Conditions	Yield
With C3H6N2O6S2(1+)*C2F3O2(1-); ammonium chloride at 80℃; for 0.166667h; Reagent/catalyst; Temperature;	100%
With 1,3-disulfonic acid imidazolium trifluoroacetate; ammonium chloride In neat (no solvent) at 80℃; for 0.166667h; Reagent/catalyst;	100%
With ammonium cerium (IV) nitrate; ammonium acetate In polyethylene glycol 400 at 25℃; for 0.25h;	98%

: 123-08-0
4-hydroxy-benzaldehyde

: 126-81-8
dimedone

: 71827-75-3
2,2′‐[(4‐hydroxyphenyl)methylene]bis(3‐hydroxy‐5,5‐dimethylcyclohex‐2‐enone)

Conditions

Conditions	Yield
at 50℃; for 1h; Knoevenagel condensation;	100%
With ZnAl2O4 In ethanol at 80℃; for 0.25h;	96%
With 3-(N,N-dimethyldodecylammonium)propanesulfonic acid hydrogen sulphate at 100℃; for 1h; neat (no solvent);	95%

: 69219-20-1
telluroxanthen-Te,Te-dichlorid

: 126-81-8
dimedone

: 77151-13-4
telluroniaxanthenyldimedone ylide

Conditions

Conditions	Yield
With triethylamine In benzene at 60 - 70℃; for 0.333333h;	100%

: 3240-34-4
[bis(acetoxy)iodo]benzene

: 126-81-8
dimedone

: 35024-12-5
(4,4-dimethyl-2,6-dioxo-cyclohexyl)-phenyl-iodonium betaine

Conditions

Conditions	Yield
With potassium hydroxide In methanol at 20℃; for 2h;	100%
In dichloromethane at 20℃; for 1.5h;	95%
In dichloromethane at 20℃; for 2h;	92%

: 2700-22-3
Benzylidenemalononitrile

: 126-81-8
dimedone

: 107752-97-6
2-amino-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Conditions

Conditions	Yield
at 100℃; for 1h; Michael reaction;	100%
With 2‑hydroxyethyl‑1‑ammonium 3‑hydroxypropane‑1‑sulfonate for 0.75h; Reagent/catalyst;	99%
With urea/choline chloride eutectic salt In water at 20℃; Michael Addition; Green chemistry;	96%

: 1867-38-5
4-chlorobenzylidenemalonodinitrile

: 126-81-8
dimedone

: 107753-00-4
2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

Conditions

Conditions	Yield
at 130℃; for 1h; Michael reaction;	100%
With 1-butyl-3-methylimidazolium Tetrafluoroborate at 40℃; for 3h; Michael addition;	95%
With N-benzyl-N,N,N-triethylammonium chloride at 20℃; for 0.0833333h;	95%

: 25862-12-8
bis(4-methylphenyl) selenoxide

: 126-81-8
dimedone

: 2-(Di-p-tolyl-λ4-selanylidene)-5,5-dimethyl-cyclohexane-1,3-dione

Conditions

Conditions	Yield
In chloroform for 15h; Heating;	100%

: 25408-75-7
N,N'-dibenzoylsulfur diimide

: 126-81-8
dimedone

A: 55-21-0
benzamide

B: 85078-62-2
8,8-Dimethyl-3-phenyl-4-oxa-1-thia-2-aza-spiro[4.5]dec-2-ene-6,10-dione

Conditions

Conditions	Yield
In benzene at 20℃; for 2.5h;	A n/a B 100%

...Expand

: 40014-48-0
N,N'-bis-(4-chloro-benzoyl)-sulfur diimide

: 126-81-8
dimedone

A: 85078-63-3
3-(4-Chloro-phenyl)-8,8-dimethyl-4-oxa-1-thia-2-aza-spiro[4.5]dec-2-ene-6,10-dione

B: 619-56-7
4-chlorobenzamide

Conditions

Conditions	Yield
In benzene at 20℃; for 2.5h;	A 100% B n/a

...Expand

: 51786-98-2
diphenyltellurium(IV) oxide

: 126-81-8
dimedone

: 57857-71-3
diphenyltelluroniodimedonide

Conditions

Conditions	Yield
In chloroform for 15h; Heating;	100%

: 67808-91-7
(Z)-1-nitro-1-(phenylthio)propene

: 126-81-8
dimedone

: 69477-90-3
3-Hydroxy-5,5-dimethyl-2-(1-methyl-2-nitro-2-phenylsulfanyl-ethyl)-cyclohex-2-enone

Conditions

Conditions	Yield
With potassium fluoride In 1,2-dimethoxyethane 1) 30 min. RT, 2) 3h, 50-60 deg C;	100%

: 133706-55-5
(-)-menthyl 4-(methylseleninyl)benzoate

: 126-81-8
dimedone

: <4'-<(-)-menthyloxycarbonyl>phenyl>(methyl)selenonium 4,4-dimethyl-2,6-dioxocyclohexylide

Conditions

Conditions	Yield
With magnesium sulfate In chloroform for 12h; Ambient temperature;	100%

: 126-81-8
dimedone

: 73339-77-2
N,N'-bis-(2,4-dichloro-benzoyl)-sulfur diimide

A: 2447-79-2
2,4-dichlorobenzamide

B: 85078-64-4
3-(2,4-Dichloro-phenyl)-8,8-dimethyl-4-oxa-1-thia-2-aza-spiro[4.5]dec-2-ene-6,10-dione

Conditions

Conditions	Yield
In benzene at 20℃; for 2.5h;	A n/a B 100%

...Expand

: 126-81-8
dimedone

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: 75039-59-7
2-dimethylaminomethylene-5,5-dimethylcyclohexane-1,3-dione

Conditions

Conditions	Yield
for 1h; Heating;	100%
In 5,5-dimethyl-1,3-cyclohexadiene for 3h; Reflux;	100%
at 100℃; for 1h;	100%

: 126-81-8
dimedone

: 81955-02-4
N,N'-bis(phenylsulfonyl)sulfoxylic diamide

A: 98-10-2
benzenesulfonamide

B: 56995-07-4
4',4',6,6-tetramethyl-6,7-dihydro-2'H,6'H-spiro[1,3-benzoxathiol-2,1'-cyclohexan]-2',4,6'(5H)-trion

C: 3359-52-2
bis(4,4-dimethyl-2,6-dioxo-1-cyclohexyl) sulfide

Conditions

Conditions	Yield
In benzene at 20℃; for 6h;	A 100% B 35% C 12%

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Dimedone Specification

The Dimedone with the cas number 126-81-8, is also called 5,5-dimethylcyclohexane-1,3-dione named by IUPAC. It's system Name 1,3-Cyclohexanedione, 5,5-dimethyl-. It belongs to the following product categories: (1)Pharmaceutical Intermediates; (2)Aromatic Ketones (substituted); (3)ketone; (4)Materials Science so on. It is stable under ambient conditions and soluble in water, as well as ethanol and methanol, but may be light sensitive, and is incompatible with strong oxidizing agents.

Physical properties about Dimedone are: (1)ACD/LogP: 0.15 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.25 ; (4)ACD/LogD (pH 7.4): -1.8 ; (5)ACD/BCF (pH 5.5): 1 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 11.39 ; (8)ACD/KOC (pH 7.4): 1 ; (9)#H bond acceptors: 2 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 0 ; (12)Polar Surface Area: 34.14 ?2 ; (13)Index of Refraction: 1.452 ; (14)Molar Refractivity: 37.25 cm³ ; (15)Molar Volume: 137.8 cm³; (16)Polarizability: 14.76 ×10^-24cm³ ; (17)Surface Tension: 31.8 dyne/cm ; (18)Density: 1.016 g/cm³ ; (19)Flash Point: 85.1 °C ; (20)Enthalpy of Vaporization: 47.04 kJ/mol ; (21)Boiling Point: 233.7 °C at 760 mmHg ; (22)Vapour Pressure: 0.0552 mmHg at 25°C

Uses of Dimedone: Dimedone is a cyclic diketone used in organic chemistry to determine whether a compound contains an aldehyde group. And in general it can be used as catalysts in the formation of transition-metal complexes. Other uses include applications in colourimetry, crystallography, luminescence and spectrophotometric analysis. It can also be used for chemistry involving organic compounds of low electrical resistance. In addition, it is also used as reactant in many reactions, for instance, it can react with diacetoxy-phenyl-l3-iodane to obtain phenyldimedonyliodon at ambient temperature in ethanol for 30 min, yield is 82 %.

When you are using this chemical, please be cautious about it as the following: It is quite irritating to eyes, respiratory system and skin. When you are using this chemical, you should better wear suitable protective clothing and gloves to avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure :
(1).SMILES: O=C1CC(=O)CC(C)(C)C1
(2).InChI:InChI=1/C8H12O2/c1-8(2)4-6(9)3-7(10)5-8/h3-5H2,1-2H3

Toxic information of Dimedone can be showed as follows:.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	oral	> 500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 28, 1953.

Product Name

Dimedone

Synthetic route

Dimedone Specification

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