Product Name

  • Name

    Cycloheptanone

  • EINECS 207-937-6
  • CAS No. 502-42-1
  • Article Data367
  • CAS DataBase
  • Density 0.929 g/cm3
  • Solubility Insoluble in water
  • Melting Point -21 °C
  • Formula C7H12O
  • Boiling Point 180 °C at 760 mmHg
  • Molecular Weight 112.172
  • Flash Point 55.6 °C
  • Transport Information UN 1987 3/PG 3
  • Appearance clear colorless to yellow liquid
  • Safety 23-24/25-36-26
  • Risk Codes 10-36/37/38
  • Molecular Structure Molecular Structure of 502-42-1 (Cycloheptanone)
  • Hazard Symbols IrritantXi
  • Synonyms Ketocycloheptane;Ketoheptamethylene;NSC 9471;Suberon;Suberone;
  • PSA 17.07000
  • LogP 1.90970

Synthetic route

cycloheptanol
502-41-0

cycloheptanol

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With ruthenium trichloride; iodobenzene; potassium peroxomonosulfate In water; acetonitrile at 20℃; for 0.8h;100%
With ruthenium trichloride; iodobenzene; potassium peroxymonosulfate In water; acetonitrile at 20℃; for 0.8h; Inert atmosphere;100%
With 5 wt% Pd nanoparticles loaded on phosphate anion exchanged [Mg6Al2(OH)16]CO3*xH2O; air at 50℃; under 760.051 Torr; for 6h; Reagent/catalyst; Irradiation;100%
cycloheptanone semicarbazone
36237-80-6

cycloheptanone semicarbazone

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With copper(II) sulfate In tetrahydrofuran; methanol; water for 3h; Heating;100%
1-cycloheptylidenehydrazine
77378-96-2

1-cycloheptylidenehydrazine

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With copper(II) sulfate In tetrahydrofuran; methanol; water for 2h; Heating;100%
With HOF* CH3CN In dichloromethane at 0℃; for 0.0166667h;
2-Cyclohepten-1-one
1121-66-0

2-Cyclohepten-1-one

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With hydrogen; palladium(II) complex of ferrocenylamine sulfide (3) In acetone under 4137.2 Torr; for 8h;95%
With hydrogen In ethanol at 20℃; under 760.051 Torr; for 1h; chemoselective reaction;94%
With hydrogen; palladium
cycloheptanone oxime
2158-31-8

cycloheptanone oxime

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With Oxone; water; potassium hydrogencarbonate In acetone for 0.25h; Heating;95%
With Cu(NO3)2-SiO2 for 0.166667h; oxime cleavage; microwave irradiation;95%
With γ-picolinium chlorochromate; silica gel In dichloromethane at 20℃; for 4h;93%
1,1-dimethoxycycloheptane
25632-02-4

1,1-dimethoxycycloheptane

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With Methyltrichlorosilane; sodium iodide In acetonitrile for 0.5h; Ambient temperature;95%
2-bromocycloheptanone
1056246-49-1

2-bromocycloheptanone

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With hydrogen iodide for 0.0833333h; Ambient temperature;93%
With chloro-trimethyl-silane; sodium iodide In acetonitrile for 8h; Ambient temperature;88%
formic acid
64-18-6

formic acid

1-cycloheptylidene-2-phenylhydrazine
3349-69-7

1-cycloheptylidene-2-phenylhydrazine

A

2-formyl-1-phenylhydrazine
622-84-4

2-formyl-1-phenylhydrazine

B

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
In ethanol for 5h; Heating;A 93%
B 87%
...Expand
1-cycloheptylidene-2-phenylhydrazine
3349-69-7

1-cycloheptylidene-2-phenylhydrazine

A

2-formyl-1-phenylhydrazine
622-84-4

2-formyl-1-phenylhydrazine

B

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With formic acid In ethanol for 5h; Heating;A 93%
B 87%
Cycloheptanone SAMP-hydrazone
72170-88-8

Cycloheptanone SAMP-hydrazone

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With selenium(IV) oxide; dihydrogen peroxide In methanol; water at 20℃; pH=7; aq. phosphate buffer;93%
1-oxa-4-thia-spiro[4.6]undecane
184-31-6

1-oxa-4-thia-spiro[4.6]undecane

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With trimethylsilyl trifluoromethanesulfonate; nitrobenzaldehyde polymer In dichloromethane for 3h; Ambient temperature;92%
With 4-nitrobenzaldehdye; trimethylsilyl trifluoromethanesulfonate In dichloromethane for 0.0833333h; Ambient temperature;78%
1,2-epoxy-3-cycloheptene
6669-45-0, 88765-15-5, 88765-17-7

1,2-epoxy-3-cycloheptene

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With BF4; hydrogen In dichloromethane under 10343 Torr; for 5h; Ambient temperature;91%
cycloheptanamine
5452-35-7

cycloheptanamine

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With potassium permanganate; copper(II) sulfate In dichloromethane for 24h; Ambient temperature;90%
With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; [bis(acetoxy)iodo]benzene In dichloromethane at 0 - 20℃; for 0.333333h; Inert atmosphere; Green chemistry;85%
With iodosylbenzene In water at 0℃; for 1h;52%
1,4-dioxaspiro[4.6]undecane
184-26-9

1,4-dioxaspiro[4.6]undecane

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With ammonium cerium(IV) nitrate In methanol; water at 20℃; for 0.166667h; Ring cleavage;90%
With chloral hydrate In hexane at 25℃; for 0.5h; Inert atmosphere;84%
With tellurium; sodium tetrahydroborate; water 1.) EtOH, 25 deg C, 30 min; Multistep reaction;
(diphenylmethylene)cycloheptane
65927-28-8

(diphenylmethylene)cycloheptane

A

benzophenone
119-61-9

benzophenone

B

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With Celite; pyridinium chlorochromate In dichloromethane for 30h; Heating; highly selective oxidative cleavage;A 90%
B 87%
cycloheptanone p-tolylsulfonylhydrazone
56382-69-5

cycloheptanone p-tolylsulfonylhydrazone

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
Amberlyst 15 In water; acetone for 23h; Ambient temperature;90%
With copper(II) sulfate In tetrahydrofuran; methanol; water for 4h; Heating;85%
Cycloheptanone diethyl acetal
1130-34-3

Cycloheptanone diethyl acetal

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
indium(III) chloride In methanol; water for 1.33333h; Heating;90%
Cycloheptyloxy-trimethyl-silane
61612-52-0

Cycloheptyloxy-trimethyl-silane

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With N-hydroxyphthalimide; oxygen; cobalt(II) benzoate In acetonitrile at 20℃; for 10h;89%
With sodium bromate; ammonium chloride In water; acetonitrile at 80℃; for 0.833333h;81%
1,4-dithia-spiro[4.6]undecane
184-32-7

1,4-dithia-spiro[4.6]undecane

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With fluorosulfonylchloride In diethyl ether; water Ambient temperature;85%
With sodium nitrate; sulfuric acid; silica gel In dichloromethane at 20℃; for 0.416667h;85%
nitrosyl(5,10,15,20-tetraphenylporphyrinato)(pyridine)cobalt(III)
75778-52-8

nitrosyl(5,10,15,20-tetraphenylporphyrinato)(pyridine)cobalt(III)

boron trifluoride diethyl etherate
109-63-7

boron trifluoride diethyl etherate

A

pyCo(tetraphenylporphyrin)NO*BF3

pyCo(tetraphenylporphyrin)NO*BF3

B

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With cycloheptanol In 1,2-dichloro-ethane byproducts: BF3-pyridine complex, H2O; under Ar addn. of BF3*Et2O to mixt. of alcohol and complex in (CH2)2Cl2, further addn. of BF3*Et2O, heating in 60°C oil bath for 45 min,addn. 1 drop of pyridine in hexane, removing BF3-pyridine complex pptd.; solvent removing in vac., addn. of petroleum ether to resulting oil, filtration, drying under Ar;A n/a
B 84%
With Cyclopentanol In 1,2-dichloro-ethane byproducts: BF3-pyridine complex, H2O; under Ar addn. of BF3*Et2O to mixt. of alcohol and complex in (CH2)2Cl2, further addn. of BF3*Et2O, heating in 60°C oil bath for 30 min,addn. 1 drop of pyridine in hexane, removing BF3 complex pptd.; solvent removing in vac., addn. of petroleum ether to resulting oil, filtration, drying under Ar;A n/a
B 54%
...Expand
pyCo(N,N'-bis(salicylidene)-o-phenylenediamino)NO2

pyCo(N,N'-bis(salicylidene)-o-phenylenediamino)NO2

boron trifluoride diethyl etherate
109-63-7

boron trifluoride diethyl etherate

A

pyCo(N,N'-bis(salicylidene)-o-phenylenediamino)NO*BF3

pyCo(N,N'-bis(salicylidene)-o-phenylenediamino)NO*BF3

B

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With cycloheptanol In 1,2-dichloro-ethane byproducts: BF3-pyridine complex, H2O; under Ar addn. of BF3*Et2O to mixt. of alcohol and complex in (CH2)2Cl2, further addn. of BF3*Et2O, heating in 60°C oil bath for 10 min,addn 1 drop pyridine, filtration, further conditions: various concn. ofLewis acid, time, various yields; solvent removing in vac., addn. of petroleum ether to resulting oil, filtration, drying under Ar;A n/a
B 84%
...Expand
Cycloheptene
628-92-2

Cycloheptene

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With dihydrogen peroxide In water; acetonitrile at 55℃; for 12h; Wacker Oxidation;83%
With oxygen; palladium(II) sulfate; PdSO4-H3PMo6W6O40 In cyclohexane; water at 30℃; for 22h;10%
With oxygen; H3PMo6W6O40 In cyclohexane; water at 29.9℃; under 760 Torr; for 22h;10%
Cycloheptanthion
75031-88-8

Cycloheptanthion

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With nitrosonium tetrafluoroborate In dichloromethane for 0.5h; Ambient temperature;83%
cycloheptanone dimethylhydrazone
39672-01-0

cycloheptanone dimethylhydrazone

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With ferric nitrate In dichloromethane 30 min., r.t., then reflux;82%
tin(ll) chloride; palladium dichloride In water for 0.025h; microwave irradiation;82%
With montmorillonite K-10 for 0.0333333h; microwave irradiation;88 % Chromat.
cycloheptanol-tert-butyldimethylsilyl ether

cycloheptanol-tert-butyldimethylsilyl ether

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With N-hydroxyphthalimide; oxygen; cobalt(II) benzoate In acetonitrile at 20℃; for 12h;82%
cycloheptanol
502-41-0

cycloheptanol

A

heptanedioic acid
111-16-0

heptanedioic acid

B

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With oxygen; trifluoroacetic acid; sodium nitrite at 0 - 20℃; for 12.25h; Product distribution / selectivity;A 80%
B 18%
With oxygen; sodium nitrite In trifluoroacetic acid at 0 - 20℃; for 12h;A 73%
B 18%
cycloheptanone thiosemicarbazone
354988-81-1

cycloheptanone thiosemicarbazone

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With nickel(II) perchlorate In ethanol for 5h; Heating;76.36%
1-hydroxy-1-(2-phenylethynyl)cycloheptane
72946-37-3

1-hydroxy-1-(2-phenylethynyl)cycloheptane

1-iodo-2-((2-methylallyl)oxy)benzene
156642-47-6

1-iodo-2-((2-methylallyl)oxy)benzene

A

3-methyl-3-(3-phenylprop-2-yn-1-yl)-2,3-dihydrobenzofuran
1603105-46-9

3-methyl-3-(3-phenylprop-2-yn-1-yl)-2,3-dihydrobenzofuran

B

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With tris-(dibenzylideneacetone)dipalladium(0); tetrabutylammomium bromide; potassium carbonate In water at 100℃; Microwave irradiation; Inert atmosphere; Sealed tube; Green chemistry;A 76%
B n/a
...Expand
8-oxabicyclo[5.1.0]octane
286-45-3

8-oxabicyclo[5.1.0]octane

trans-2-iodocycloheptanol
98411-66-6

trans-2-iodocycloheptanol

B

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
With boron trifluoride diethyl etherate; tetra-(n-butyl)ammonium iodide In dichloromethane at 25℃; for 4h;A 72%
B n/a
Dichloromethyl methyl ether
4885-02-3

Dichloromethyl methyl ether

B-methoxyborepane
5747-29-5

B-methoxyborepane

cycloheptanone
502-42-1

cycloheptanone

Conditions
ConditionsYield
70%
In not given IR, PMR, mass spectral data, GLC;;70%
cycloheptanone
502-42-1

cycloheptanone

oxocan-2-one
539-87-7

oxocan-2-one

Conditions
ConditionsYield
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 120h; Baeyer-Villiger reaction;100%
With oxygen; 1-(n-butyl)-3-methylimidazolium triflate at 20℃; for 0.25h; Baeyer-Villiger Ketone Oxidation; Electrochemical reaction; Green chemistry;97%
With Ag/WO3 nanobars; dihydrogen peroxide In acetonitrile at 80℃; for 9h; Baeyer-Villiger Ketone Oxidation; Green chemistry;96%
cycloheptanone
502-42-1

cycloheptanone

cycloheptanone oxime
2158-31-8

cycloheptanone oxime

Conditions
ConditionsYield
With hydroxylamine hydrochloride; sodium acetate In methanol Heating;100%
With pyridine; hydroxylamine hydrochloride In ethanol at 90 - 100℃; for 2h;100%
With hydroxylamine hydrochloride; sodium acetate In diethyl ether at 20℃; for 9h;98%
cycloheptanone
502-42-1

cycloheptanone

cycloheptanol
502-41-0

cycloheptanol

Conditions
ConditionsYield
With aluminum oxide; sodium tetrahydroborate In hexane at 20℃; for 3h;100%
With C15H18BF3; hydrogen; tert-butylimino-tri(pyrrolidino)phosphorane In tetrahydrofuran at 75℃; under 75007.5 Torr; for 20h; Glovebox;99%
With hydrogen; silver perchlorate; potassium hexamethylsilazane In toluene at 25℃; under 15001.5 Torr; for 17h; Glovebox;99%
cycloheptanone
502-42-1

cycloheptanone

2-bromocycloheptanone
1056246-49-1

2-bromocycloheptanone

Conditions
ConditionsYield
With N-Bromosuccinimide; toluene-4-sulfonic acid at 20℃; for 2.5h;100%
With N-Bromosuccinimide; toluene-4-sulfonic acid In dichloromethane for 16h; Cooling with ice;99%
With N-Bromosuccinimide In dimethyl sulfoxide at 20 - 65℃;95%
methyllithium
917-54-4

methyllithium

cycloheptanone
502-42-1

cycloheptanone

1-methylcycloheptanol
3761-94-2

1-methylcycloheptanol

Conditions
ConditionsYield
In diethyl ether at -78℃;100%
ethane-1,2-dithiol
540-63-6

ethane-1,2-dithiol

cycloheptanone
502-42-1

cycloheptanone

1,4-dithia-spiro[4.6]undecane
184-32-7

1,4-dithia-spiro[4.6]undecane

Conditions
ConditionsYield
Nafion-H In benzene Heating;100%
With perchloric acid; silica gel at 25 - 30℃; for 0.05h;97%
With P-benzyltriphenylphosphonium tribromide at 20℃; for 1.5h;96%
phenylhydrazine
100-63-0

phenylhydrazine

cycloheptanone
502-42-1

cycloheptanone

5,6,7,8,9,10-hexahydrocyclohept[b]indole
2047-89-4

5,6,7,8,9,10-hexahydrocyclohept[b]indole

Conditions
ConditionsYield
With trichloroacetic acid at 100℃; for 0.0833333h; Fischer indole synthesis;100%
With 1,3-bis(3-sulfopropyl)-1H-imidazol-3-ium hydrogensulfate In water at 80℃; for 1h; Fischer indole synthesis;88%
With acetic acid for 0.5h; Heating;74%
toluene-4-sulfonic acid hydrazide
1576-35-8

toluene-4-sulfonic acid hydrazide

cycloheptanone
502-42-1

cycloheptanone

cycloheptanone p-tolylsulfonylhydrazone
56382-69-5

cycloheptanone p-tolylsulfonylhydrazone

Conditions
ConditionsYield
In methanol at 20℃; Schlenk technique;100%
In ethanol at 100℃; for 0.25h; Inert atmosphere;99%
In ethanol for 2h; Reflux; Inert atmosphere;90%
carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

cycloheptanone
502-42-1

cycloheptanone

2-(methoxycarbonyl)cycloheptanone
52784-32-4

2-(methoxycarbonyl)cycloheptanone

Conditions
ConditionsYield
Stage #1: carbonic acid dimethyl ester With sodium hydride In toluene; mineral oil for 1h; Reflux;
Stage #2: cycloheptanone In toluene; mineral oil for 3h; Reflux;		100%
Stage #1: carbonic acid dimethyl ester; cycloheptanone With sodium hydride In mineral oil; benzene for 3.84h; Inert atmosphere; Reflux;
Stage #2: With acetic acid In mineral oil; benzene at 0℃; Inert atmosphere;		94%
With sodium hydride In benzene for 3h; Reflux;94%
p-methoxyphenyltellurium trichloride
36309-68-9

p-methoxyphenyltellurium trichloride

cycloheptanone
502-42-1

cycloheptanone

C14H18Cl2O2Te
112449-65-7

C14H18Cl2O2Te

Conditions
ConditionsYield
In benzene for 7h; Heating;100%
t-butyldimethylsiyl triflate
69739-34-0

t-butyldimethylsiyl triflate

cycloheptanone
502-42-1

cycloheptanone

tert-butyl (cyclohept-1-en-1-yloxy)dimethylsilane
68081-19-6

tert-butyl (cyclohept-1-en-1-yloxy)dimethylsilane

Conditions
ConditionsYield
With triethylamine In dichloromethane for 0.0833333h;100%
With triethylamine In dichloromethane at 0℃;59%
With triethylamine In dichloromethane at 0℃; for 0.666667h;
vinyl magnesium bromide
1826-67-1

vinyl magnesium bromide

cycloheptanone
502-42-1

cycloheptanone

1-vinylcycloheptanol
6244-47-9

1-vinylcycloheptanol

Conditions
ConditionsYield
In tetrahydrofuran at 0 - 23℃; for 18h; Inert atmosphere;100%
In tetrahydrofuran; diethyl ether at -5 - 20℃;86%
In tetrahydrofuran at -78℃; Grignard reaction;66%
5,7-bis(trifluoroacetyl)-8-quinolylamine
221636-54-0

5,7-bis(trifluoroacetyl)-8-quinolylamine

cycloheptanone
502-42-1

cycloheptanone

2,2,2-trifluoro-1-(7-trifluoromethyl-9,10,11,12-tetrahydro-8H-1,13-diaza-cyclohepta[b]phenanthren-5-yl)-ethane-1,1-diol

2,2,2-trifluoro-1-(7-trifluoromethyl-9,10,11,12-tetrahydro-8H-1,13-diaza-cyclohepta[b]phenanthren-5-yl)-ethane-1,1-diol

Conditions
ConditionsYield
With ammonia; water In acetonitrile at 20℃; for 48h; Condensation; Cyclization;100%
nitromethane
75-52-5

nitromethane

phenylmethanethiol
100-53-8

phenylmethanethiol

cycloheptanone
502-42-1

cycloheptanone

1-benzylthio-1-nitromethylcycloheptane
335458-25-8

1-benzylthio-1-nitromethylcycloheptane

Conditions
ConditionsYield
With piperidine In benzene100%
With ethylenediamine In acetonitrile for 12h; Heating;83%
...Expand
Isopropyl acetate
108-21-4

Isopropyl acetate

cycloheptanone
502-42-1

cycloheptanone

1-cycloheptenyl acetate
14477-74-8

1-cycloheptenyl acetate

Conditions
ConditionsYield
With toluene-4-sulfonic acid at 100℃; for 24h; Heating;100%
5-phenyl-3-(2′-pyridyl)-1,2,4-triazine
16280-66-3

5-phenyl-3-(2′-pyridyl)-1,2,4-triazine

cycloheptanone
502-42-1

cycloheptanone

3-phenyl-1-pyridin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine

3-phenyl-1-pyridin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine

Conditions
ConditionsYield
With 4 Angstroem molecular sives; N-methyl-ethane-1,2-diamine In toluene for 22h; Diels-Alder reaction; Heating;100%
With 4 A molecular sieve; N-methyl-ethane-1,2-diamine In toluene at 120℃; for 22h;100%
methanol
67-56-1

methanol

cycloheptanone
502-42-1

cycloheptanone

1,1-dimethoxycycloheptane
25632-02-4

1,1-dimethoxycycloheptane

Conditions
ConditionsYield
With trimethyl orthoformate at 60℃; under 6000480 Torr; for 16h;100%
With trimethyl orthoformate at 20℃; for 1h;92%
With Mo-TiO2/rGO at 20℃; for 0.5h; Catalytic behavior;
p-tolyldiazomethane
23304-24-7

p-tolyldiazomethane

cycloheptanone
502-42-1

cycloheptanone

(S)-2-(4-methylphenyl)cyclooctanone
1278594-26-5

(S)-2-(4-methylphenyl)cyclooctanone

Conditions
ConditionsYield
Stage #1: cycloheptanone With C33H29N3O3; scandium tris(trifluoromethanesulfonate) In toluene for 0.25h; Inert atmosphere;
Stage #2: p-tolyldiazomethane In toluene at -78℃; for 3h; Inert atmosphere; optical yield given as %ee; enantioselective reaction;		100%
Stage #1: cycloheptanone With 1,1,1-tris[(4R,5S)-4,5-indanediyloxazolin-2-yl]ethane; scandium tris(trifluoromethanesulfonate) In toluene for 0.25h; Inert atmosphere;
Stage #2: p-tolyldiazomethane In toluene at -78℃; for 3h; Inert atmosphere; optical yield given as %ee; enantioselective reaction;		98%
1-(diazomethyl)-3-methoxybenzene
65864-99-5

1-(diazomethyl)-3-methoxybenzene

cycloheptanone
502-42-1

cycloheptanone

(S)-2-(3-methoxyphenyl)cyclooctanone
1278594-27-6

(S)-2-(3-methoxyphenyl)cyclooctanone

Conditions
ConditionsYield
Stage #1: cycloheptanone With C33H29N3O3; scandium tris(trifluoromethanesulfonate) In toluene for 0.25h; Inert atmosphere;
Stage #2: 1-(diazomethyl)-3-methoxybenzene In toluene at -78℃; for 3h; Inert atmosphere; optical yield given as %ee; enantioselective reaction;		100%
Stage #1: cycloheptanone With 1,1,1-tris[(4R,5S)-4,5-indanediyloxazolin-2-yl]ethane; scandium tris(trifluoromethanesulfonate) In toluene for 0.25h; Inert atmosphere;
Stage #2: 1-(diazomethyl)-3-methoxybenzene In toluene at -78℃; for 3h; Inert atmosphere; optical yield given as %ee; enantioselective reaction;		98%
benzyl [(4RS,5RS)-3-oxo-1,5-di(propan-2-yl)pyrazolidin-4-yl]carbamate

benzyl [(4RS,5RS)-3-oxo-1,5-di(propan-2-yl)pyrazolidin-4-yl]carbamate

cycloheptanone
502-42-1

cycloheptanone

(4RS,5RS)-4-(cycloheptylamino)-1,5-di(propan-2-yl)pyrazolidin-3-one

(4RS,5RS)-4-(cycloheptylamino)-1,5-di(propan-2-yl)pyrazolidin-3-one

Conditions
ConditionsYield
With hydrogenchloride; palladium 10% on activated carbon; hydrogen In methanol; water at 20℃; for 13h;100%
1.4-dibromobenzene
106-37-6

1.4-dibromobenzene

cycloheptanone
502-42-1

cycloheptanone

C13H17BrO
1610027-87-6

C13H17BrO

Conditions
ConditionsYield
Stage #1: 1.4-dibromobenzene With n-butyllithium In tetrahydrofuran at -75 - -70℃; Inert atmosphere;
Stage #2: cycloheptanone In tetrahydrofuran at -40℃; Inert atmosphere;		100%
Stage #1: 1.4-dibromobenzene With iodine; magnesium In diethyl ether Grignard Reaction; Reflux;
Stage #2: cycloheptanone In diethyl ether at 20℃; for 2h;
1-(4-aminoquinolin-3-yl)-2,2,2-trifluoroethanone (not 1-(4-(ethylamino)quinolin-3-yl)-2,2,2-trifluoroethanone)

1-(4-aminoquinolin-3-yl)-2,2,2-trifluoroethanone (not 1-(4-(ethylamino)quinolin-3-yl)-2,2,2-trifluoroethanone)

cycloheptanone
502-42-1

cycloheptanone

7-(trifluoromethyl)-9,10,11,12-tetrahydro-8H-benzo[h]cyclohepta[b][1,6]naphthyridine

7-(trifluoromethyl)-9,10,11,12-tetrahydro-8H-benzo[h]cyclohepta[b][1,6]naphthyridine

Conditions
ConditionsYield
With ammonium hydroxide In acetonitrile at 50℃; for 96h;100%
2,4,6-trimethylbenzenesulfonohydrazide
16182-15-3

2,4,6-trimethylbenzenesulfonohydrazide

cycloheptanone
502-42-1

cycloheptanone

N'-cycloheptylidene-2,4,6-trimethylbenzenesulfonohydrazide

N'-cycloheptylidene-2,4,6-trimethylbenzenesulfonohydrazide

Conditions
ConditionsYield
In methanol at 20℃;100%
formic acid ethyl ester
109-94-4

formic acid ethyl ester

cycloheptanone
502-42-1

cycloheptanone

2-formylcycloheptanone
64799-08-2, 1589-24-8

2-formylcycloheptanone

Conditions
ConditionsYield
With ethanol; sodium hydride In diethyl ether at 20℃; for 22h;99%
With diethyl ether; sodium methylate
With sodium ethanolate
furan
110-00-9

furan

cycloheptanone
502-42-1

cycloheptanone

1-(furan-2-yl)cycloheptanol
115754-89-7

1-(furan-2-yl)cycloheptanol

Conditions
ConditionsYield
Stage #1: furan With n-butyllithium; N,N,N,N,-tetramethylethylenediamine In tetrahydrofuran; hexanes at -78℃; for 1h; Inert atmosphere;
Stage #2: cycloheptanone In tetrahydrofuran; hexanes at -78℃; for 1h; Inert atmosphere;
Stage #3: With ammonium chloride In tetrahydrofuran; hexanes; water		99%
With n-butyllithium; toluene-4-sulfonic acid Multistep reaction;
With n-butyllithium In diethyl ether; hexane at 0℃; for 1h;
Stage #1: furan With n-butyllithium In diethyl ether; hexane at 0℃;
Stage #2: cycloheptanone In diethyl ether; hexane at 0 - 20℃;
Stage #1: furan With n-butyllithium In tetrahydrofuran at -20 - 0℃; for 4h; Inert atmosphere;
Stage #2: cycloheptanone In tetrahydrofuran at -78 - 20℃; for 6h; Inert atmosphere;
malononitrile
109-77-3

malononitrile

cycloheptanone
502-42-1

cycloheptanone

2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
23917-22-8

2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile

Conditions
ConditionsYield
With morpholine; sulfur In ethanol at 70℃; for 17h;99%
With morpholine; sulfur In ethanol at 30℃; for 8h; Gewald Aminoheterocycles Synthesis;95%
With sulfur; L-proline In N,N-dimethyl-formamide at 60℃; for 10h; Gewald reaction;94%
chloro-trimethyl-silane
75-77-4

chloro-trimethyl-silane

cycloheptanone
502-42-1

cycloheptanone

(cyclohept-1-en-1-yloxy)(trimethyl)silane
22081-48-7

(cyclohept-1-en-1-yloxy)(trimethyl)silane

Conditions
ConditionsYield
With magnesium In N,N-dimethyl-formamide at 15 - 25℃;99%
Stage #1: cycloheptanone With n-butyllithium In tetrahydrofuran at -78℃;
Stage #2: chloro-trimethyl-silane In tetrahydrofuran at -78 - 20℃; Further stages.;		99%
With 1,4-dioxane; lithium chloride; 2-mesitylmagnesium bromide In tetrahydrofuran at 0℃; for 1h; Inert atmosphere;96%

Cycloheptanone Chemical Properties

Molecular Formula: C7H12O
Molecular Weight: 112.17
EINECS: 207-937-6
Melting point: -21 °C
Boiling Point: 180 °C at 760 mmHg 
Flash Point: 55.6 °C 
Index of Refraction: 1.449 
Molar Refractivity: 32.41 cm3 
Molar Volume: 120.6 cm3 
Surface Tension: 31.5 dyne/cm 
Density: 0.929 g/cm3 
Enthalpy of Vaporization: 41.63 kJ/mol 
Vapour Pressure: 0.915 mmHg at 25°C 
Storage temp.: Flammables area
Water Solubility: Insoluble in water
Appearance: Clear colorless to yellow liquid
Structure of Suberone (CAS NO.502-42-1):
                       
IUPAC Name: Cycloheptanone
Canonical SMILES: C1CCCC(=O)CC1
InChI: InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2
InChIKey: CGZZMOTZOONQIA-UHFFFAOYSA-N
Product Category of Suberone (CAS NO.502-42-1): Pharmaceutical Intermediates;Carbonyl Compounds;Ketones

Cycloheptanone Uses

 Suberone (CAS NO.502-42-1) is used in organic synthesis.

Cycloheptanone Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 750mg/kg (750mg/kg) BEHAVIORAL: EXCITEMENT
BEHAVIORAL: COMA
CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)		 Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 254, Pg. 2245, 1962.
mouse LDLo subcutaneous 930mg/kg (930mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC
BEHAVIORAL: COMA
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903.

Cycloheptanone Safety Profile

Moderately toxic by subcutaneous and intraperitoneal routes. Can cause central nervous system depression. When heated to decomposition it emits acrid smoke and irritating fumes.
The Hazard Codes:   Xi
Hazard Note: Irritant
HazardClass: 3
The Risk Statements:
10:  Flammable 
36/37/38:  Irritating to eyes, respiratory system and skin 
The Safety Statements:
23:  Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) 
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing 
24/25:  Avoid contact with skin and eyes 
RIDADR: UN 1987 3/PG 3
WGK Germany: 3
RTECS: GU3325000
PackingGroup: III

Cycloheptanone Specification

 Suberone , its cas register number is 502-42-1. It also can be called Cycloheptanone ; Ketoheptamethylene ; and Suberon . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition, Suberone (CAS NO.502-42-1) is not compatible with strong oxidizing agents, reducing agents, strong bases, and you must not take it with incompatible materials, ignition sources. And also prevent it to broken down into hazardous decomposition products: Carbon monoxide, carbon dioxide.

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