1,3-Cyclohexanedione supplier

Name
1,3-Cyclohexanedione
EINECS 207-980-0
CAS No. 504-02-9
Article Data85
CAS DataBase
Density 1.127 g/cm³
Solubility soluble in water
Melting Point 101-105 °C(lit.)
Formula C₆H₈O₂
Boiling Point 235.1 °C at 760 mmHg
Molecular Weight 112.128
Flash Point 85.7 °C
Transport Information
Appearance beige crystalline powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Cyclohexandione;See also 1,3-Cyclohexanedione;1, 3-Benzenediol, dihydro-;cyclohexane-1,3-dione;1,3-Benzenediol, dihydro-;Resorcinol, dihydro-;1,3-Cyclohexanone;3-hydroxycyclohex-2-en-1-one;Dihydroresorcinol;Hydroresorcinol;1,3-cyclohexane dione;
PSA 34.14000
LogP 0.69860

Synthetic route

: 5323-87-5
3-Ethoxycyclohex-2-en-1-one

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With water at 20℃; under 900.09 Torr; for 0.226667h; Flow reactor;	99%
With ammonium cerium(IV) nitrate In water; acetonitrile for 0.5h; Heating;	92%
With iron(III) chloride hexahydrate In water at 25℃; for 12h;

: 16493-04-2
3-butanoxycyclohex-2-en-1-one

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With water In acetonitrile at 20℃; under 900.09 Torr; for 0.226667h; Flow reactor;	99%
With ammonium cerium(IV) nitrate In water; acetonitrile for 0.75h; Heating;	90%
Multi-step reaction with 2 steps 1: Amberlyst-15 / 80 °C / 2475.25 Torr 2: water / Flow reactor View Scheme

: 104808-17-5
3-(propoxy)cyclohex-2-en-1-one

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With water In acetonitrile at 20℃; under 900.09 Torr; for 0.226667h; Flow reactor;	99%
Multi-step reaction with 2 steps 1: Amberlyst-15 / 80 °C / 2475.25 Torr 2: water / acetonitrile / 0.23 h / 20 °C / 900.09 Torr / Flow reactor View Scheme
Multi-step reaction with 3 steps 1: Amberlyst-15 / 80 °C / 2475.25 Torr 2: Amberlyst-15 / 80 °C / 2475.25 Torr 3: water / Flow reactor View Scheme

: 16807-60-6
3-methoxycyclohex-2-en-1-one

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With water at 20℃; under 900.09 Torr; for 0.226667h; Flow reactor;	98%
With ammonium cerium(IV) nitrate In water; acetonitrile for 0.5h; Heating;	91%
Multi-step reaction with 2 steps 1: Amberlyst-15 / 80 °C / 2475.25 Torr 2: water / 0.23 h / 20 °C / 900.09 Torr / Flow reactor View Scheme

: 1874-83-5
cyclohexane-1,3-dione sodium enolate

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With hydrogenchloride In water at 15 - 20℃;	96.43%

: 108-46-3
recorcinol

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With hydrogen In dichloromethane at 30℃; under 7500.75 Torr; for 6h; Reagent/catalyst; Temperature; Pressure; Autoclave;	94%
Stage #1: recorcinol With sodium hydroxide In water at 15℃; Stage #2: With platinum on activated charcoal; hydrogen In water at 80 - 105℃; under 7500.75 Torr; for 5h; Stage #3: With hydrogenchloride In water at 18℃; Temperature; Pressure;	93%
With sodium hydroxide In aluminum nickel; water; hydrogen	91%

: 4969-01-1
1,4-dioxaspiro[4.5]decan-7-one

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With sulfuric acid; silica gel In dichloromethane for 6h; Ambient temperature;	93%
With pyridinium p-toluenesulfonate; silica gel In water for 0.05h; microwave irradiation;	81%
With sulfuric acid In dichloromethane for 20h; Ambient temperature;	70%
With sulfuric acid; silica gel In dichloromethane for 24h; Ambient temperature;	60%

: C12H16O6

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With water; sodium hydroxide at 70 - 80℃; for 2h; Temperature;	90.5%

: C10H12O6

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With water; sodium hydroxide at 60 - 70℃; for 2h; Temperature;	90.2%

: 177-77-5
1,4,8,11-tetraoxa-dispiro[4.1.4.3]tetradecane

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate; silica gel In water for 0.05h; microwave irradiation;	89%

: 69016-26-8
3-benzyloxy-2-cyclohexenone

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In water; acetonitrile for 0.75h; Heating;	88%

: 3-(hexyloxy)cyclohex-2-en-1-one

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In water; acetonitrile for 1h; Heating;	84%
With iron(III) chloride hexahydrate In water at 25℃; for 12h;
With water Flow reactor;

: 3-phenethyloxy-cyclohex-2-enone

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In water; acetonitrile for 1h; Heating;	83%

: 128345-12-0
1,5-dithiaspiro<5.5>undecan-8-one

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With acetic acid at 35℃; for 8h;	81%

: 13984-50-4
methyl levulinate

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With sodium methylate In methanol Heating;	80%
Stage #1: methyl levulinate With potassium tert-butylate In tetrahydrofuran for 6h; Reflux; Stage #2: With hydrogenchloride In water	74%

: 58529-72-9
3-isopropoxycyclohex-2-en-1-one

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In water; acetonitrile for 2.5h; Heating;	80%

: 50338-46-0
1-Trimethylsiloxy-bicyclo[3.1.0]hexan

A: 823-19-8
3-hydroxycyclohexanone

B: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With bis(acetylacetonate)oxovanadium; oxygen In ethanol Ambient temperature;	A 75% B 10%
With vanadyl acetylacetonate; oxygen In ethanol at 20℃; for 20h;	A 75% B 10%

: 53852-96-3
2-(1,3-Diphenyl-3-oxopropyl)cyclohexane-1,3-dione

: (+/-)-trans-2-benzoyl-3-phenyl-2,3,6,7-tetrahydrobenzo-furan-4(5H)-one

B: 504-02-9
1,3-cylohexanedione

C: 94-41-7
benzalacetophenone

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; potassium tert-butylate; tetra-(n-butyl)ammonium iodide In acetonitrile at 30℃; for 12h;	A 15% B 69% C 74%

...Expand

: 50-00-0
formaldehyd

: 3859-41-4
1,3-cyclopentadione

A: 504-02-9
1,3-cylohexanedione

B: 102306-78-5
6,7-dihydrocyclopenta[d][1,3]dioxin-5(4H)-one

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane for 38h; Product distribution; Ambient temperature; var. 1,3-cyclodienones; var. forms of CH2O, var. time;	A 9% B 73%

...Expand

: Cyclohexane-1,3-dione Dioxime

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With hexamethylenetetramine; water for 0.005h; microwave irradiation;	72%

: 144730-04-1
6-(3-Benzyloxy-propyl)-7-oxa-bicyclo[4.1.0]heptan-2-one

A: 504-02-9
1,3-cylohexanedione

B: 144730-20-1
3-[3-(benzyloxy)propyl]cyclohex-2-enone

: 144730-08-5, 144730-09-6
(3aS,7aS)-3-Benzyloxy-7a-hydroxy-octahydro-inden-4-one

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene Heating;	A 5% B 4% C 67%

...Expand

: 6705-49-3
7-oxabicyclo[4.1.0]heptan-2-one

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); 1,2-bis-(diphenylphosphino)ethane In water; toluene at 80℃; for 24h;	62%
With 4-(1-hydroxy-2-(methylamino)ethyl)-1,2-phenylene bis(2,2-dimethylpropanoate); tetrakis(triphenylphosphine) palladium(0) In water; toluene at 80℃; for 24h;	62.3%

: 78743-56-3
2-Hydroxy-2-methoxymethyl-cyclopentanone

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With potassium hydrogensulfate at 170 - 180℃; under 20 - 25 Torr;	61%

: 144730-03-0
6-(3-Phenyl-propyl)-7-oxa-bicyclo[4.1.0]heptan-2-one

A: 504-02-9
1,3-cylohexanedione

B: 144730-06-3
3-(3-Phenyl-propyl)-cyclohex-2-enone

: 144730-05-2, 144730-21-2
(3R,3aR,7aR)-7a-Hydroxy-3-phenyl-octahydro-inden-4-one

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene Heating;	A 8% B 8% C 61%

...Expand

: 67-64-1
acetone

: 140-88-5
ethyl acrylate

A: 763-69-9
ethyl 3-ethoxypropionate

B: 1335209-87-4
ethyl 3-(2,4-dioxocyclohexyl)propanoate

C: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
With sodium hydride In toluene at -10 - 20℃; for 2h; Michael-Claisen cyclization; Inert atmosphere; regioselective reaction;	A 8% B 54% C 3%
With sodium hydride at -10 - 20℃; for 0.0833333h; Michael-Claisen cyclization; Inert atmosphere; neat (no solvent); regioselective reaction;	A 6% B 39% C 9%

...Expand

: 135525-28-9
6-(4-Pentenyl)-7-oxabicyclo<4.1.0>heptan-2-one

A: 70079-75-3
3-(4-pentenyl)-2-cyclohexen-1-one

B: 504-02-9
1,3-cylohexanedione

: 144730-18-7, 144730-19-8
(3aS,7aS)-7a-Hydroxy-3-vinyl-octahydro-inden-4-one

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In benzene Heating;	A 13% B 7% C 51%

...Expand

: 81902-29-6
2-Diazo-3-hydroxy-1-cyclohexanone

A: 1560-11-8
cyclopent-1-enecarboxylic acid

B: 1192-54-7
2-formylcyclopentanone

C: 54170-83-1
C12H14O3

: 1883-88-1, 17502-28-2, 63578-05-2, 63578-06-3, 81887-89-0, 125072-73-3
(+/-)-(1R,2R)-trans-2-hydroxy-1-cyclopentanecarboxylic acid

E: 504-02-9
1,3-cylohexanedione

F: 81887-95-8
2-Hydroxy-cyclopentanecarboxylic acid 2-oxo-cyclopent-(Z)-ylidenemethyl ester

Conditions

Conditions	Yield
In tetrahydrofuran; water at 20 - 25℃; for 2h; Product distribution; Mechanism; Irradiation; different reaction time;	A 49% B 1% C n/a D 27% E n/a F 8%

...Expand

: 108-73-6
3,5-dihydroxyphenol

A: 504-02-9
1,3-cylohexanedione

B: 108-46-3
recorcinol

Conditions

Conditions	Yield
With potassium hydroxide; Raney Ni-Al alloy In water at 90℃; for 6h;	A 48.9% B 28.8%

(BiClPh3)2 O: (BiClPh3)2 O

: 823-19-8
3-hydroxycyclohexanone

: 584-08-7
potassium carbonate

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
In dichloromethane	9.4%

...Expand

: 64-17-5
ethanol

: 4761-26-6
ethyl 2-carbethoxy-5-oxocaproate

: 141-52-6
sodium ethanolate

: 504-02-9
1,3-cylohexanedione

Conditions

Conditions	Yield
2 Tage;

...Expand

: 504-02-9
1,3-cylohexanedione

: 60060-44-8
2-bromocyclohexane-1,3-dienone

Conditions

Conditions	Yield
With bromine; acetic acid at 20℃;	100%
With bromine In acetic acid at 20℃; for 2h;	100%
With bromine; acetic acid at 20℃; for 3h; Cooling with ice;	98%

: 64-17-5
ethanol

: 504-02-9
1,3-cylohexanedione

: 5323-87-5
3-Ethoxycyclohex-2-en-1-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 12h; Reflux;	100%
With hydrogenchloride at 20℃; for 24h;	100%
With Amberlyst-15 at 80℃; under 2475.25 Torr; for 0.0766667h; Catalytic behavior; Temperature; Concentration; Flow reactor;	99%

: 504-02-9
1,3-cylohexanedione

: 106-47-8
4-chloro-aniline

: 36646-75-0
3-(4-choloroaniline)-2-cyclohexen-1-one

Conditions

Conditions	Yield
at 20℃; for 0.5h; Solid phase reaction; condensation;	100%
With silica In neat (no solvent) at 20℃; for 0.666667h; Green chemistry;	98%
With ytterbium(III) triflate In acetonitrile at 20℃; for 0.5h;	91%

: 463-51-4
Ketene

: 504-02-9
1,3-cylohexanedione

: 57918-73-7
3-acetoxy-cyclohex-2-enone

Conditions

Conditions	Yield
With acetic anhydride for 0.133333h; Ambient temperature;	100%

: 70-23-5
ethyl Bromopyruvate

: 504-02-9
1,3-cylohexanedione

: 128428-59-1
3-hydroxy-4-oxo-2,3,4,5,6,7-hexahydrobenzofuran-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With potassium hydroxide In methanol Ambient temperature; overnight;	100%
With 1-butyl-3-methylimidazolium hydroxide at 25 - 30℃; for 0.5h; Feist-Benary reaction;	88%
Stage #1: 1,3-cylohexanedione With ammonium acetate In ethanol; water at 80℃; for 1h; Stage #2: ethyl Bromopyruvate In ethanol; water at 80℃; for 3h;	88%
With sodium hydroxide In methanol for 12h; microwave heating;

: 504-02-9
1,3-cylohexanedione

: 104-94-9
4-methoxy-aniline

: 36646-77-2
3-(4-methoxyphenylamino)cyclohex-2-en-1-one

Conditions

Conditions	Yield
at 20℃; for 0.5h; Solid phase reaction; condensation;	100%
With ytterbium(III) triflate In acetonitrile at 20℃; for 0.333333h;	97%
With ytterbium(III) triflate In acetonitrile at 20℃; Inert atmosphere;	97%

: 504-02-9
1,3-cylohexanedione

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

: 85302-07-4
2-(dimethylaminomethylene)cyclohexane-1,3-dione

Conditions

Conditions	Yield
for 1h; Heating;	100%
at 100℃; for 1h;	100%
at 95℃; for 1h;	100%

: 504-02-9
1,3-cylohexanedione

: 1188-33-6
N,N-dimethylformamide diethyl diacetal

: 85302-07-4
2-(dimethylaminomethylene)cyclohexane-1,3-dione

Conditions

Conditions	Yield
In benzene for 0.333333h; Heating;	100%

: 59410-47-8
nonadecanoyl chloride

: 504-02-9
1,3-cylohexanedione

: Nonadecanoic acid 3-oxo-cyclohex-1-enyl ester

Conditions

Conditions	Yield
With pyridine In chloroform for 1h;	100%

: 504-02-9
1,3-cylohexanedione

: 107-21-1
ethylene glycol

: 177-77-5
1,4,8,11-tetraoxa-dispiro[4.1.4.3]tetradecane

Conditions

Conditions	Yield
With zeolite HSZ-360 In toluene for 8h; Heating;	100%

: 504-02-9
1,3-cylohexanedione

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

: 17401-27-3
9-phenyl-3,4-dihydro-2H-acridin-1-one

Conditions

Conditions	Yield
With o-benzenedisulfonimide at 80℃; for 4h; Friedlaender synthesis; Neat (no solvent);	100%
With 3-methyl-1-sulfoimidazolium trichloroacetate; trichloroacetic acid In neat (no solvent) at 100℃; Friedlaender Quinoline Synthesis;	100%
With aluminum oxide In chloroform for 3h; Friedlaender reaction; Reflux;	98%

: 504-02-9
1,3-cylohexanedione

: 106-49-0
p-toluidine

: 36646-74-9
3-(p-tolylamino)cyclohex-2-en-1-one

Conditions

Conditions	Yield
at 20℃; for 0.5h; Solid phase reaction; condensation;	100%
With ytterbium(III) triflate In acetonitrile at 20℃; for 0.333333h;	96%
With acetic acid In toluene at 110℃; for 4h;	96%

: 1485-00-3, 22568-48-5
5-((E)-2-nitroethenyl)-1,3-benzodioxole

: 504-02-9
1,3-cylohexanedione

: 363593-22-0
2-(1-benzo[1,3]dioxol-5-yl-2-nitro-ethyl)-3-hydroxy-cyclohex-2-enone

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In dichloromethane at 18℃; for 2h; Michael addition;	100%

: 104-87-0
4-methyl-benzaldehyde

: 141-97-9
ethyl acetoacetate

: 504-02-9
1,3-cylohexanedione

: ethyl 2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Conditions

Conditions	Yield
With Cu(OTf)2; ammonium acetate In ethanol at 100℃; for 0.25h; Hantzsch reaction; Microwave irradiation;	100%
With ammonium acetate; ethanol; iodine at 40℃; for 0.583333h; Hantzsch reaction;	99%
With ammonium acetate; ammonium cerium(IV) nitrate In ethanol at 20℃; for 1.5h; Hantzsch dihydropyridine synthesis;	98%

...Expand

: 504-02-9
1,3-cylohexanedione

: 2450-71-7
Propargylamine

: 69042-21-3
(N-propargyl)-3-amino-2-cyclohexenone

Conditions

Conditions	Yield
In benzene for 12h; Heating;	100%
In benzene Reflux;	91%
With ammonium cerium(IV) nitrate In acetonitrile at 20℃; for 0.5h;	79%
In neat (no solvent) at 20℃; for 14h; Green chemistry;
In neat (no solvent) at 20℃; for 24h;

: 98946-18-0
tert-Butyl 2,2,2-trichloroacetimidate

: 504-02-9
1,3-cylohexanedione

: 95849-54-0
3-(tert-butoxy)cyclohex-2-en-1-one

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane; cyclohexane for 2h;	100%

: 504-02-9
1,3-cylohexanedione

: 551-93-9
2-aminoacetophenone

: 14428-46-7
9-methyl-3,4-dihydro-2H-acridin-1-one

Conditions

Conditions	Yield
With o-benzenedisulfonimide at 80℃; for 16h; Friedlaender synthesis; Neat (no solvent);	100%
With toluene-4-sulfonic acid for 0.0833333h; Friedlaender condensation; Heating;	96%
With γ-Fe2O3-HAp-Si-(CH2)3-NHSO3H nanoparticles at 20℃; for 1.5h; Friedlaender synthesis; neat (no solvent);	96%

: 1687-53-2
5-amino-2-methoxyphenol

: 504-02-9
1,3-cylohexanedione

: 3-(3-hydroxy-4-methoxyanilino)-2-cyclohexen-1-one

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene	100%

: 504-02-9
1,3-cylohexanedione

: 147-85-3
L-proline

: 1033193-52-0
1-(3-oxocyclohex-1-enyl)pyrrolidine-2-carboxylic acid

Conditions

Conditions	Yield
In benzene for 5h; Reflux;	100%

: 141-97-9
ethyl acetoacetate

: 504-02-9
1,3-cylohexanedione

: 3446-89-7
4-(Methylthio)benzaldehyde

: 312527-79-0
2-Methyl-4-(4-methylsulfanyl-phenyl)-5-oxo-1,4, 5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With Cu(OTf)2; ammonium acetate In ethanol at 100℃; for 0.25h; Hantzsch reaction; Microwave irradiation;	100%

...Expand

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

: 504-02-9
1,3-cylohexanedione

: 374918-82-8
4b,9b-dihydroxy-7,8-dihydro-4bH-indeno[1,2-b]benzofuran-9,10(6H,9bH)-dione

Conditions

Conditions	Yield
With acetic acid for 0.25h; Heating;	100%

: 1343477-51-9
2-[1-(4-fluorophenyl)ethenyl]thiophene

: 504-02-9
1,3-cylohexanedione

: 1378021-29-4
2-(4-fluorophenyl)-3,5,6,7-tetrahydro-2-(2-thienyl)benzofuran-4(2H)-one

Conditions

Conditions	Yield
With manganese(III) triacetate dihydrate; acetic acid at 50 - 80℃; Inert atmosphere;	100%

: 18315-80-5, 18315-86-1, 16508-09-1
ethyl α-nitrocinnamate

: 504-02-9
1,3-cylohexanedione

: 1399075-98-9
ethyl 4-oxo-3-phenyl-2,3,4,5,6,7-hexahydrobenzofuran-2-carboxylate

Conditions

Conditions	Yield
With triethylamine In acetonitrile at 60℃; for 3h;	100%
With tetrabutylammomium bromide; triethylamine In water at 70℃; for 6h;	85%

: 504-02-9
1,3-cylohexanedione

: diethyl 5-formyl-3-methyl-1-(2-oxo-2-phenylethyl)-1H-pyrrole-2,4-dicarboxylate

: diethyl 5-benzoyl-2-methyl-9-oxo-6,7,8,9-tetrahydropyrrolo[1,2-b]isoquinoline-1,3-dicarboxylate

Conditions

Conditions	Yield
With piperdinium acetate In ethanol at 120℃; for 24h;	100%

: R,S-trans-2-aminocyclohexan-1-ol

: 504-02-9
1,3-cylohexanedione

: trans-3-(2-hydroxycyclohexyl)amino-2-cyclohexenone

Conditions

Conditions	Yield
In toluene at 135℃; for 1h;	99.7%

: 89-98-5
2-chloro-benzaldehyde

: 504-02-9
1,3-cylohexanedione

: 152129-14-1
C19H19ClO4

Conditions

Conditions	Yield
With piperidine In ethanol; water at 20℃; for 0.333333h;	99.65%
In methanol; water at 40 - 45℃; for 0.166667h;	96%
With cesium fluoride In ethanol at 20℃; for 0.333333h;	91%
With potassium hydroxide In ethanol for 2h; Condensation; Heating;

: 504-02-9
1,3-cylohexanedione

: 587-04-2
3-Chlorobenzaldehyde

: 2,2'-(3''-chlorophenyl)methylene-bis(cyclohexane-1,3-dione)

Conditions

Conditions	Yield
With piperidine In ethanol; water at 20℃; for 0.333333h;	99.65%
With silica gel; aniline; ytterbium(III) triflate at 20℃; for 0.0333333h; neat (no solvent, solid phase);	87%

: 504-02-9
1,3-cylohexanedione

: 6630-33-7
ortho-bromobenzaldehyde

: 2,2'-((2-bromophenyl)methylene)dicyclohexane-1,3-dione

Conditions

Conditions	Yield
With piperidine In ethanol; water at 20℃; for 0.333333h;	99.65%
In water at 20℃; for 4h;	85%

: 504-02-9
1,3-cylohexanedione

: 1709-44-0
m-aminobenzaldehyde

: C19H21NO4

Conditions

Conditions	Yield
With piperidine In ethanol; water at 20℃; for 0.333333h;	99.65%

: 95-14-7
1,2,3-Benzotriazole

: 20035-41-0
6-bromo-2-hydroxy-3-methoxybenzaldehyde

: 504-02-9
1,3-cylohexanedione

: 9-benzotriazol-1-yl-8-bromo-5-methoxy-2,3,4,9-tetrahydroxanthen-1-one

Conditions

Conditions	Yield
With hydroxy proline Reagent/catalyst; Green chemistry;	99.5%

...Expand

1,3-Cyclohexanedione Standards and Recommendations

APPEARANCE:Beige Crystalline Powder
ASSAY:96.0% min
WATER:0.1% max

1,3-Cyclohexanedione Specification

The 1,3-Cyclohexanedione, with the CAS registry number 504-02-9,is also known as Cyclohexane-1,3-dione; Dihydroresorcinol. It belongs to the product categories of Intermediates;Isotope Labelled Compounds. Its EINECS number is 207-980-0. This chemical's molecular formula is C₆H₈O₂ and molecular weight is 112.13. What's more,Its systematic name is 1,3-Cyclohexanedione.It is a pale yellow to beige powder which is a nitisinone intermediate.When you use it ,you should be avoided contact with skin and eyes.It is used as an intermediate for pharmaceuticals, herbicides, plant growth regulator and other organic products ( CARVEDILOL, ONDANSETRON, Carazolol, Cilansetron, Sulcotrione, CLETHODIM, Cycloxydim, Mesotrione).

Physical properties about 1,3-Cyclohexanedione are:
(1)ACD/LogP: -0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.43; (4)ACD/LogD (pH 7.4): -2.98; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 2.53; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.474; (13)Molar Refractivity: 27.931 cm3; (14)Molar Volume: 99.449 cm3; (15)Surface Tension: 40.5950012207031 dyne/cm; (16)Density: 1.128 g/cm3; (17)Flash Point: 85.684 °C; (18)Enthalpy of Vaporization: 47.181 kJ/mol; (19)Boiling Point: 235.055 °C at 760 mmHg; (20)Vapour Pressure: 0.0509999990463257 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES::O=C1CCCC(=O)C1;
(2)Std. InChI:InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2;
(3)Std. InChIKey:HJSLFCCWAKVHIW-UHFFFAOYSA-N.

Product Name

1,3-Cyclohexanedione

Synthetic route

1,3-Cyclohexanedione Standards and Recommendations

1,3-Cyclohexanedione Specification

Related Products

Hot Products