Cyclooctanone supplier | CasNO.502-49-8

Name
Cyclooctanone
EINECS 207-940-2
CAS No. 502-49-8
Article Data386
CAS DataBase
Density 0.912 g/cm³
Solubility Soluble in water at 20°C 15g/L. Soluble in acetone, alcohol, chloroform, methanol and benzene.
Melting Point 32-41 °C(lit.)
Formula C₈H₁₄O
Boiling Point 193.229 °C at 760 mmHg
Molecular Weight 126.199
Flash Point 72.778 °C
Transport Information
Appearance colorless to white crystalline low melting solid
Safety 45-36/37/39-26
Risk Codes 34
Molecular Structure
Hazard Symbols C
Synonyms NSC 9475;cyclooctan-1-one;
PSA 17.07000
LogP 2.29980

Synthetic route

: 696-71-9
cyclooctanol

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With dihydrogen peroxide; tetra(n-butyl)ammonium hydrogensulfate; sodium tungstate In tert-butyl alcohol at 90℃; for 0.5h;	100%
With ruthenium trichloride; iodobenzene; potassium peroxomonosulfate In water; acetonitrile at 20℃; for 0.5h;	100%
With ruthenium trichloride; iodobenzene; potassium peroxymonosulfate In water; acetonitrile at 20℃; for 0.5h; Inert atmosphere;	100%

: 292-64-8
Cyclooctan

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With hydrogenchloride; FeH6Mo6O24(3-)3H3N3H(1+)*7H2O; tetrabutylammomium bromide; dihydrogen peroxide In 1,4-dioxane; water at 85℃; for 24h;	98%
With oxygen; isobutyraldehyde; vanadium-substituted V-MCM-41 (A) zeolite In acetone at 25℃; for 24h;	83%
With potassium permanganate; borontrifluoride acetic acid In acetonitrile at 23℃; for 0.166667h;	55%

: 286-62-4
Cyclooctene oxide

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With lithium iodide In xylene at 140℃; for 6h;	98%
With lithium iodide In xylene at 140℃; for 6h; Product distribution; other temperatures, other times; various concentrations of catalyst; other catalyst; without a solvent;

: 5452-37-9
cyclooctylamine

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With zinc dichromate trihydrate at 20℃; grinding; neat (no solvent); chemoselective reaction;	98%
With 3-carboxypyridinium dichromate In acetonitrile at 20℃; for 0.25h;	97%
With potassium permanganate; copper(II) sulfate In dichloromethane for 24h; Heating;	90%

: 13213-32-6
cyclooctyl methyl ether

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
Stage #1: cyclooctyl methyl ether With bromine In dichloromethane; water for 1h; Reflux; Stage #2: With dihydrogen peroxide In dichloromethane; water for 4h; Reflux;	97%

: 931-88-4, 22770-27-0, 3958-30-3
1,2-cyclooctene

A: 502-49-8
cycloactanone

B: 696-71-9
cyclooctanol

Conditions

Conditions	Yield
With tetrachloromethane; copper(II) choride dihydrate; chromium(III) acetylacetonate; water at 150℃; for 12h; Sealed tube;	A 4% B 96%

: 4017-56-5
ethyl 2-oxocyclooctane-1-carboxylate

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With sodio-propane-1,2-diol in anhydrous propane-1,2-diol at 80 - 85℃; for 0.5h;	95%

: 40338-24-7
cyclooctanone semicarbazone

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With hydrogenchloride; Tonsil In ethyl acetate for 2h; Heating;	94.1%

: 201230-82-2
carbon monoxide

: 4925-71-7
cis-1,2-epoxycyclooctane

A: 502-49-8
cycloactanone

: trans-9-oxa-bicyclo[6.2.0]decan-10-one

Conditions

Conditions	Yield
With [(salph)Cr(THF)2][Co(CO)4] In 1,2-dimethoxyethane at 60℃; under 5171.48 Torr; for 24h;	A 3% B 94%

...Expand

: 25632-03-5
1,1-dimethoxycyclooctane

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With dimethylboron bromide In dichloromethane; 1,2-dichloro-ethane at -78℃; for 1h;	93%
With dimethylboron bromide; sodium hydrogencarbonate 1) CH2Cl2, -78 deg C, 1h, 2) THF, 5 min; Yield given. Multistep reaction;

: 183-03-9
1,4-dioxaspiro<4.7>dodecane

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With dimethylboron bromide In dichloromethane; 1,2-dichloro-ethane at -78℃; for 1h;	92%
With Montmorillonite K 10; water In acetone for 0.5h; Heating;	87%
indium(III) chloride In methanol; water for 1.5h; Heating;	85%
With dimethylboron bromide; sodium hydrogencarbonate 1) CH2Cl2, -78 deg C, 1h, 2) THF, 5 min; Yield given. Multistep reaction;

: 27889-58-3
3,3-dimethyl-1,5-dioxaspiro<5.7>tridecane

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With dimethylboron bromide In dichloromethane; 1,2-dichloro-ethane at -78℃; for 1h;	91%
With dimethylboron bromide; sodium hydrogencarbonate 1) CH2Cl2, -78 deg C, 1h, 2) THF, 5 min; Yield given. Multistep reaction;

: 39261-18-2
2-bromocyclooctan-1-one

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With diphosphorus tetraiodide In dichloromethane at 25℃; for 7h;	91%

: 931-88-4, 931-87-3
(Z)-Cyclooctene

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; C21H19N5Pd(2+)*2BF4(1-) In decane; acetonitrile at 70℃; for 24h; Temperature; Wacker Oxidation;	90%
With dihydrogen peroxide; tetraphenylphosphonium; sodium hydrogencarbonate; WO(O2)(QO)4 In acetonitrile at 25℃; for 0.5h;	74%
Stage #1: cis-Cyclooctene With dimethylsulfide borane complex In tetrahydrofuran at 20℃; for 3h; Inert atmosphere; Stage #2: With tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide In tetrahydrofuran; dichloromethane at 20℃; Molecular sieve;	53%

: 85895-35-8
1,1-bis(phenylthio)cyclooctane

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid; trifluoroacetic acid In dichloromethane for 1h; Ambient temperature;	87%

: 4925-71-7
cis-1,2-epoxycyclooctane

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With trimethylsilyl trifluoromethanesulfonate In toluene at 0℃; for 2h;	87%
t-BuOSmI2 In tetrahydrofuran at 60℃; for 4h;	83%

: 696-71-9
cyclooctanol

: 87413-09-0
Dess-Martin periodane

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
In dichloromethane at 25℃; for 2.1h; Product distribution; Mechanism; var. primary and secondary alcohols, var. 12-I-5 species; other solvents and relation time, var. concentrations of oxidant, in the presence of different labile groups in the molecule;	86%

: 40756-11-4
(cyclooctyloxy)trimethylsilane

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With sodium bromate; ammonium chloride In water; acetonitrile at 80℃; for 0.833333h;	82%

: 931-88-4, 931-87-3
(Z)-Cyclooctene

A: 502-49-8
cycloactanone

B: 4925-71-7
cis-1,2-epoxycyclooctane

Conditions

Conditions	Yield
With oxygen; magnesium oxide supported polytitazane-tin tetrachloride In 1,4-dioxane at 80℃; for 20h;	A n/a B 81%

: 292-64-8
Cyclooctan

A: 502-49-8
cycloactanone

B: 696-71-9
cyclooctanol

Conditions

Conditions	Yield
With CoO40W12(5-)3C30H24CoN69.5H2O*2H(1+); dihydrogen peroxide In acetonitrile at 80℃; for 9h; Inert atmosphere;	A 80% B 19%
With [Fe4III(μ-O)2(μ-acetate)6(2,2'-bipyridine)2(H2O)2](NO3-)(OH-); dihydrogen peroxide; acetic acid In water; acetonitrile at 32℃; for 3h; Catalytic behavior; Overall yield = 89 %Spectr.;	A 77% B 13%
With oxygen; copper diacetate; acetaldehyde In dichloromethane; acetonitrile at 70℃; under 760.051 Torr; for 24h; Catalytic behavior; Inert atmosphere;	A 74% B 8%

: 53867-57-5
1,2-dicyclooctylidenehydrazine

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With HOF* CH3CN In dichloromethane at 0℃; for 0.0166667h;	80%

{[Cp*Ru(CO)2]2(μ-H)}+OTf-: {[Cp*Ru(CO)2]2(μ-H)}+OTf-

: 696-71-9
cyclooctanol

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With hydrogen In 1,2-dichloro-benzene	80%

: 292-64-8
Cyclooctan

A: 502-49-8
cycloactanone

B: 5130-47-2
cyclooctylhydroperoxide

Conditions

Conditions	Yield
With HO40PVW11(14-)*4C16H36N(1+); dihydrogen peroxide In acetonitrile at 80℃; for 12h; Inert atmosphere;	A 23% B 77%
With 5,10,15,20-tetrakis(4-chlorophenyl)porphyrinatocopper(II); T(o-Cl)PPCo; oxygen at 110℃; under 10501.1 Torr; for 8h;

: 183-04-0
cyclooctanone thioketal

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With formaldehyd; water; acetone; Amberlyst 15 at 80℃; for 10h;	76%

: 1502-14-3, 74305-06-9, 84402-56-2
(+/-)-trans-2-bromo-1-hydroxycyclooctane

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In benzene Ambient temperature; Irradiation;	76%
With di-tert-butyl diperoxyoxalate In cyclohexane Heating;	93 % Chromat.

: 4885-02-3
Dichloromethyl methyl ether

: 60579-50-2
B-methoxyborocane

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
	74%
In not given IR, PMR, mass spectral data, GLC;;	74%

: 76902-54-0
(Pyrrolidinylmethylene)cyclooctane

: 502-49-8
cycloactanone

Conditions

Conditions	Yield
With potassium dichromate; sulfuric acid In diethyl ether at 25℃; for 1h;	73%

: 286-62-4
Cyclooctene oxide

A: 502-49-8
cycloactanone

B: 4277-29-6
cycloheptanecarboxaldehyde

Conditions

Conditions	Yield
at 600℃;	A 71% B 14%
With aluminum oxide; lithium bromide at 180℃; for 0.5h; Yield given. Yields of byproduct given;

: 50338-42-6
(E)-1-trimethylsilyloxy-1-cyclooctene

A: 502-49-8
cycloactanone

B: 496-82-2
2-hydroxycylooctanone

Conditions

Conditions	Yield
With tris(cetylpyridinium) 12-tungstophosphate; dihydrogen peroxide In dichloromethane for 6h; Heating;	A 14% B 71%
With tris(cetylpyridinium) 12-tungstophosphate; dihydrogen peroxide In dichloromethane at 20℃; for 16h; oxidative cleavage;	A 20 % Chromat. B 45 % Chromat.

: 502-49-8
cycloactanone

: 1074-51-7
cyclooctanone oxime

Conditions

Conditions	Yield
With pyridine; hydroxylamine hydrochloride In ethanol at 90 - 100℃; for 2h;	100%
With ammonium chloride; Amberlyst A-21 In ethanol for 1h; Ambient temperature;	95%
With hydroxylamine hydrochloride; sodium acetate In ethanol; water Reflux;	90%

: 502-49-8
cycloactanone

: 696-71-9
cyclooctanol

Conditions

Conditions	Yield
With aluminum oxide; sodium tetrahydroborate In hexane at 30℃; for 3h;	100%
With hydrogen In ethanol at 130℃; under 30003 Torr; for 20h; Autoclave;	97%
With chloro-trimethyl-silane; calcium hydride; zinc(II) chloride In tetrahydrofuran at 40℃; for 0.5h;	92%

: 502-49-8
cycloactanone

: 4828-34-6
2-chlorocyclooctanone

Conditions

Conditions	Yield
Stage #1: cycloactanone With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere; Stage #2: With methyl chlorosulfate In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere;	100%
With ammonium cerium(IV) nitrate at 25 - 28℃; for 5.5h;	86%
With p-toluenesulfonyl chloride; lithium diisopropyl amide In tetrahydrofuran -78 deg C to room t., 1 h;	69%

: 502-49-8
cycloactanone

: 74-88-4
methyl iodide

: 10363-27-6
2-methylcyclooctanone

Conditions

Conditions	Yield
With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78 - 20℃;	100%
Stage #1: cycloactanone With lithium diisopropyl amide In tetrahydrofuran at -78℃; for 1h; Inert atmosphere; Stage #2: methyl iodide In tetrahydrofuran at -78℃; for 0.666667h;	62%
With sodium amide
With lithium diisopropyl amide 1.) THF, -78 deg C, 30 min, 2.) THF, RT, 40 h; Yield given. Multistep reaction;
Stage #1: cycloactanone With lithium diisopropyl amide In tetrahydrofuran; hexane at 0℃; for 0.5h; Stage #2: methyl iodide In tetrahydrofuran; hexane at -78℃; Further stages.;

: 502-49-8
cycloactanone

: 50635-71-7, 50635-72-8, 31350-93-3
1-chloroethyl p-tolyl sulfoxide

: 159763-14-1
1-<1-chloro-1-(p-tolylsulfinyl)ethyl>-1-cyclooctanol

Conditions

Conditions	Yield
at -70℃;	100%
With n-butyllithium; diisopropylamine In tetrahydrofuran at -65℃; for 0.416667h;	37%

: 502-49-8
cycloactanone

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

: 2567-85-3
cyclooctanone p-tolylsulfonylhydrazone

Conditions

Conditions	Yield
In ethanol at 100℃; for 1h;	100%
In ethanol at 100℃; for 1.66667h; Inert atmosphere;	100%
In methanol at 20℃; Schlenk technique;	100%

: 502-49-8
cycloactanone

: 616-38-6
carbonic acid dimethyl ester

: 5452-73-3
methyl 2-oxocyclooctanecarboxylate

Conditions

Conditions	Yield
With sodium hydride In 1,4-dioxane at 90℃; Reflux;	100%
Stage #1: carbonic acid dimethyl ester With sodium hydride In tetrahydrofuran at 5 - 10℃; for 0.5h; Inert atmosphere; Stage #2: cycloactanone In tetrahydrofuran for 4.5h; Reflux; Inert atmosphere;	88%
Stage #1: carbonic acid dimethyl ester With sodium hydride In tetrahydrofuran at 5 - 10℃; for 0.5h; Stage #2: cycloactanone In tetrahydrofuran for 4.5h; Reflux;	88%

: 502-49-8
cycloactanone

: 107-02-8
acrolein

: 916853-97-9
2-(2-propen-1-ol)cyclooctanone

Conditions

Conditions	Yield
Stage #1: cycloactanone With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at 0℃; Stage #2: acrolein In tetrahydrofuran; hexane at -78℃; Further stages.;	100%
	98%
Stage #1: cycloactanone With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at 0℃; for 1h; Stage #2: acrolein In tetrahydrofuran; hexane at -78℃; for 0.0166667h;
Stage #1: cycloactanone With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; for 0.75h; Stage #2: acrolein In tetrahydrofuran; hexane at -78℃;

: 502-49-8
cycloactanone

: 75-25-2
Bromoform

: 258504-47-1
1-(Tribromomethyl)cyclooctan-1-ol

Conditions

Conditions	Yield
Stage #1: Bromoform With lithium diisopropyl amide In tetrahydrofuran; hexane at -100℃; for 0.166667h; Metallation; Stage #2: cycloactanone With boron trifluoride diethyl etherate In tetrahydrofuran; diethyl ether; hexane at -90℃; for 4h; Addition;	100%

: 502-49-8
cycloactanone

: 870-46-2
t-butoxycarbonylhydrazine

: 339058-79-6
N'-cyclooctylidene-hydrazinecarboxylic acid tert-butyl ester

Conditions

Conditions	Yield
In methanol at 20℃;	100%

: 502-49-8
cycloactanone

: 124476-10-4
3-amino-4-cyano-5-methylsulfanyl-1H-pyrrole-2-carboxylic acid ethyl ester

: 8-amino-6-methylsulfanyl-2,5-diaza-tricylo[7.6.0.03,7]-pentadeca-1,3,6,8-tetraene-4-carboxylic acid ethyl ester

Conditions

Conditions	Yield
With aluminium trichloride In 1,2-dichloro-ethane at 115 - 120℃; for 2h; Friedlaender cyclization reaction;	100%

: 502-49-8
cycloactanone

: C32H60BO4(1-)*Na(1+)

Conditions

Conditions	Yield
With sodium tetrahydroborate at 60℃; for 0.5h; Ball milling; neat (no solvent); regiospecific reaction;	100%

: 502-49-8
cycloactanone

: 316-46-1
5-fluorouridine

: 5-fluoro-1-[(3a'R,4'R,6'R,6a'R)-3a',4',6',6a'-tetrahydro-6'-(hydroxymethyl)spiro[cyclooctane-1,2'-furo[3,4-d][1,3]dioxol]-4'-yl]pyrimidine-2,4(1H,3H)-dione

Conditions

Conditions	Yield
With hydrogenchloride; orthoformic acid triethyl ester In 1,4-dioxane; N,N-dimethyl-formamide at 20℃; for 4h;	100%

: 502-49-8
cycloactanone

: 4640-67-9
3-(4-fluorophenyl)-3-oxopropionitrile

: 132812-72-7
4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocyclooctane[b]pyridine-(1H)-ketone

Conditions

Conditions	Yield
With 1-ethyl-3-methylimidazolium tetrafluoroborate at 120℃; for 1h;	99.8%
With methanesulfonic acid; phosphorus pentoxide at 50℃; for 15h;	95%
With PPA Heating;	64%
With phosphoric acid; toluene-4-sulfonic acid In toluene Reflux; Dean-Stark; Large scale;	54%

: 75-77-4
chloro-trimethyl-silane

: 502-49-8
cycloactanone

: 50338-42-6
(cyclooct-1-enyloxy)-trimethylsilane

Conditions

Conditions	Yield
With n-butyllithium; diisopropylamine In tetrahydrofuran; hexane at -78℃; Inert atmosphere;	99%
With triethylamine In N,N-dimethyl-formamide for 15h; Reflux;	93%
With triethylamine In N,N-dimethyl-formamide

: 502-49-8
cycloactanone

: 7677-24-9
trimethylsilyl cyanide

: 50361-50-7
1-((trimethylsilyl)oxy)cyclooctanecarbonitrile

Conditions

Conditions	Yield
With C29H46LaN3Si2 at 15℃; for 1h; Inert atmosphere; Glovebox; Schlenk technique;	99%
With n-butyllithium In tetrahydrofuran; hexane for 2h; Ambient temperature;	96.7%
potassium-exchanged zirconium hydrogen phosphate In dichloromethane for 20h; Heating;	95%

: 502-49-8
cycloactanone

: 30354-18-8
N,N-dimethyl(methylene)ammonium chloride

: 28118-62-9
2-(Dimethylamino)methylcyclooctan-1-one

Conditions

Conditions	Yield
In acetonitrile for 72h; Ambient temperature;	99%

: 502-49-8
cycloactanone

potassium terbutylate: potassium terbutylate

: 502-42-1
cycloheptanone

A: 187819-58-5
α-(α'-cycloheptenyl)-β-hydroxycarbonyl-ethyl propionate

B: 32405-96-2
2,4,5,6,7,8-hexahydroazulene

Conditions

Conditions	Yield
With hydrogenchloride In water; N,N-dimethyl-formamide	A 99% B n/a

...Expand

: 502-49-8
cycloactanone

: 50361-50-7
1-((trimethylsilyl)oxy)cyclooctanecarbonitrile

Conditions

Conditions	Yield
n-butyllithium In tetrahydrofuran	99%

: potassium cyanide

: 502-49-8
cycloactanone

: 710-94-1
1,3-diazaspiro[4.7]dodecane-2,4-dione

Conditions

Conditions	Yield
Stage #1: potassium cyanide; cycloactanone In ethanol; water at 60℃; for 11h; Inert atmosphere; Stage #2: With hydrogenchloride In ethanol; water at 0℃; for 15h;	99%
With ammonium carbonate In methanol; water at 140℃; for 0.133333h; Sealed vial; Microwave irradiation;	85%

: 502-49-8
cycloactanone

: 1066-54-2
trimethylsilylacetylene

: 1403824-58-7
1-((trimethylsilyl)ethynyl)cyclooctanol

Conditions

Conditions	Yield
Stage #1: trimethylsilylacetylene With n-butyllithium In tetrahydrofuran at -78℃; for 0.5h; Inert atmosphere; Stage #2: cycloactanone In tetrahydrofuran at -78 - 20℃; Inert atmosphere;	99%
Stage #1: trimethylsilylacetylene With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 0.5h; Inert atmosphere; Stage #2: cycloactanone In tetrahydrofuran; hexane at 0 - 25℃; for 2h; Inert atmosphere;
Stage #1: trimethylsilylacetylene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Stage #2: cycloactanone In tetrahydrofuran; hexane at 20℃; for 2h;

: 502-49-8
cycloactanone

: 505-48-6
octane-1,8-dioic acid

Conditions

Conditions	Yield
With oxygen; trifluoroacetic acid; sodium nitrite at 0 - 20℃; for 5.25h; Product distribution / selectivity;	98%
With dihydrogen peroxide In water; acetonitrile at 90℃; for 11h; Green chemistry;	92%
With dihydrogen peroxide; ortho-tungstic acid In water at 90℃; for 20h;	85%

: 502-49-8
cycloactanone

: 3008-37-5
cyclooctane-1,2-dione

Conditions

Conditions	Yield
With hydrogenchloride; sodium nitrite In tetrahydrofuran at 20℃; for 0.2h;	98%
With perchloric acid; tripropylammonium fluorochromate (VI) In water; acetic acid at 24.9℃; Rate constant; Thermodynamic data; ΔH(activ.), ΔS(activ.), ΔG(activ.); further temperatures (308-328 K);
With selenium(IV) oxide In ethanol

: 110-00-9
furan

: 502-49-8
cycloactanone

: 115754-91-1
1-(furan-2-yl)cyclooctanol

Conditions

Conditions	Yield
Stage #1: furan With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran; hexanes at -78℃; for 1h; Inert atmosphere; Stage #2: cycloactanone In tetrahydrofuran; hexanes at -78℃; for 1h; Inert atmosphere; Stage #3: With ammonium chloride In tetrahydrofuran; hexanes; water	98%
With n-butyllithium; toluene-4-sulfonic acid Multistep reaction;
Stage #1: furan With n-butyllithium In diethyl ether; hexane at 0℃; Stage #2: cycloactanone In diethyl ether; hexane at 0 - 20℃;

: 502-49-8
cycloactanone

: trimethylsulfoxonium bromide

: 185-88-6
1-oxaspiro[2,7]-decane

Conditions

Conditions	Yield
With potassium hydroxide In water; acetonitrile at 60℃; for 3h;	98%

: 502-49-8
cycloactanone

: 109-94-4
formic acid ethyl ester

: 2-hydroxymethylenecyclooctan-1-one sodium salt

Conditions

Conditions	Yield
With ethanol; sodium In diethyl ether	98%
With ethanol; sodium In diethyl ether at 20℃; for 48h; Inert atmosphere;

Cyclooctanone Consensus Reports

Reported in EPA TSCA Inventory.

Cyclooctanone Specification

The Cyclooctanone, with the CAS registry number 502-49-8 and EINECS registry number 207-940-2, is also known as cyclooctan-1-one. It is a kind of colorless to white crystalline low melting solid, and belongs to the following product categories: C7 to C8; Carbonyl Compounds; Ketones. And the molecular formula of this chemical is C₈H₁₄O. What's more, it is usually used as intermediate in the organic and pharmaceutical synthesis, and it is also used to produce Blonanserin-a kind of anti-schizophrenic drugs.

The physical properties of Cyclooctanone are as following: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.875; (4)ACD/LogD (pH 7.4): 1.875; (5)ACD/BCF (pH 5.5): 15.659; (6)ACD/BCF (pH 7.4): 15.659; (7)ACD/KOC (pH 5.5): 249.367; (8)ACD/KOC (pH 7.4): 249.367; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 ?2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 37.024 cm3; (15)Molar Volume: 138.428 cm3; (16)Polarizability: 14.678 10-24cm3; (17)Surface Tension: 30.761 dyne/cm; (18)Density: 0.912 g/cm3; (19)Flash Point: 72.778 °C; (20)Enthalpy of Vaporization: 42.943 kJ/mol; (21)Boiling Point: 193.229 °C at 760 mmHg; (22)Vapour Pressure: 0.47 mmHg at 25°C.

Uses of Cyclooctanone: It can react with nitromethane to produce 1-nitromethyl-cis-cyclooctene. This reaction will need reagent N,N-dimethylethylenediamine, and the solvent benzene. The reaction time is 14 hours with heating, and the yield is about 83%.

Cyclooctanone can react with nitromethane to produce 1-nitromethyl-cis-cyclooctene

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: C1CCCC(=O)CCC1
(2)InChI: InChI=1/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2
(3)InChIKey: IIRFCWANHMSDCG-UHFFFAOYAI

Product Name

Cyclooctanone

Synthetic route

Cyclooctanone Consensus Reports

Cyclooctanone Specification

Related Products

Hot Products