3-Amino-2-cyclohexen-1-one supplier

Name
3-AMINO-2-CYCLOHEXEN-1-ONE
EINECS 226-014-9
CAS No. 5220-49-5
Article Data46
CAS DataBase
Density 1.091 g/cm³
Solubility
Melting Point 129-133 °C(lit.)
Formula C₆H₉NO
Boiling Point 212.42 °C at 760 mmHg
Molecular Weight 111.144
Flash Point 82.269 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 3-Amino-2-cyclohexene-1-one;3-Aminocyclohex-2-en-1-one;NSC 106700;
PSA 43.09000
LogP 1.28230

Synthetic route

: 504-02-9
1,3-cylohexanedione

: 5220-49-5
3-amino-cyclohex-2-enone

Conditions

Conditions	Yield
With ammonium acetate; tetraethoxy orthosilicate In ethanol Heating;	98%
With ammonium acetate at 110℃; for 0.25h; Temperature;	93.6%
With potassium hydrogensulfate; ammonium acetate; silica gel at 20℃; for 0.5h;	92%

: 591-27-5
m-Hydroxyaniline

: 5220-49-5
3-amino-cyclohex-2-enone

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In methanol at 60℃; under 760.051 Torr; for 14h; Temperature; Time; Green chemistry;	94%

: 30182-67-3
1,3-Cyclohexanedione

: 5220-49-5
3-amino-cyclohex-2-enone

Conditions

Conditions	Yield
With ammonium acetate; acetic acid In benzene for 0.3h; Heating;	85%
With ammonium acetate In benzene for 5h; Reflux;	31%

: 108-45-2
m-phenylenediamine

: 5220-49-5
3-amino-cyclohex-2-enone

Conditions

Conditions	Yield
	80%
With potassium hydroxide; hydrogen; acetic acid; palladium In water

: 1609011-32-6
3-aminocyclohex-2-ene-1-one potassium salt

: 5220-49-5
3-amino-cyclohex-2-enone

Conditions

Conditions	Yield
With acetic acid In water	65%

: 108-45-2
m-phenylenediamine

A acetate salt of 3-amino-2-cyclohexene-1-imine: acetate salt of 3-amino-2-cyclohexene-1-imine

B: 5220-49-5
3-amino-cyclohex-2-enone

Conditions

Conditions	Yield
	A 55% B n/a
	A 39% B n/a

: 41609-04-5
N-benzyl-3-amino-2-cyclohexen-1-one

: 762-42-5
dimethyl acetylenedicarboxylate

: 108-44-1
1-amino-3-methylbenzene

A: 4-hydroxy-5-oxo-2-phenyl-1-m-tolyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester

B: 5220-49-5
3-amino-cyclohex-2-enone

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; copper diacetate In water at 30℃; for 12h; Reagent/catalyst;	A 55% B n/a

...Expand

: 108-45-2
m-phenylenediamine

A phosphate salt of 3-amino-2-cyclohexene-1-imine: phosphate salt of 3-amino-2-cyclohexene-1-imine

B: 5220-49-5
3-amino-cyclohex-2-enone

Conditions

Conditions	Yield
With phosphoric acid; hydrogen	A 25% B n/a

: 591-27-5
m-Hydroxyaniline

: 75-05-8
acetonitrile

A: 621-31-8
3-(ethylamino)phenol

B: 23076-01-9
3-(ethylamino)-2-cyclohexen-1-one

C: 5220-49-5
3-amino-cyclohex-2-enone

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 23h; Green chemistry;

...Expand

: 84478-75-1
2-chloro-4-fluoro-5-nitrophenol

A: 62257-16-3
5-hydroxy-2-fluoroaniline

B: 5220-49-5
3-amino-cyclohex-2-enone

C: 84478-72-8
4-chloro-2-fluoro-5-hydroxyaniline

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen; sodium hydroxide In methanol at 20℃; for 3h;	A 8 %Chromat. B 37 %Chromat. C 7 %Chromat.

...Expand

: 84478-75-1
2-chloro-4-fluoro-5-nitrophenol

A: 62257-16-3
5-hydroxy-2-fluoroaniline

B: 5220-49-5
3-amino-cyclohex-2-enone

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen; sodium acetate In methanol at 20℃; for 3h;	A 87 %Chromat. B 10 %Chromat.

: 77510-25-9
bis(2,4,6-trichlorophenyl)butylmalonate

: 5220-49-5
3-amino-cyclohex-2-enone

: 119022-17-2
3-n-butyl-4-hydroxy-7,8-dihydrochinolin-2,5(1H,6H)-dion

Conditions

Conditions	Yield
at 240℃; for 0.5h;	98%

: 550-24-3
embelin

: 5220-49-5
3-amino-cyclohex-2-enone

: 456-48-4
3-Fluorobenzaldehyde

: 1448168-14-6
9-(3-fluorophenyl)-2-hydroxy-3-undecyl-6,7,9,10-tetrahydro-5H-acridine-1,4,8-trione

Conditions

Conditions	Yield
In ethanol at 150℃; for 0.25h; Microwave irradiation;	98%

...Expand

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

: 5220-49-5
3-amino-cyclohex-2-enone

: 1158819-69-2
4b,9b-dihydroxy-4b,5,6,7,8,9b-hexahydroindeno[1,2-b]indole-9,10-dione

Conditions

Conditions	Yield
at 20℃;	96%
With LACTIC ACID In neat (no solvent) at 20℃; for 0.166667h;	84%
at 20℃;
In methanol at 20℃; for 22h;

: 550-24-3
embelin

: 100-52-7
benzaldehyde

: 5220-49-5
3-amino-cyclohex-2-enone

: 1448168-18-0
9-phenyl-2-hydroxy-3-undecyl-6,7,9,10-tetrahydro-5H-acridine-1,4,8-trione

Conditions

Conditions	Yield
In ethanol at 150℃; for 0.25h;	96%

...Expand

: 326-06-7
1-Phenyl-4,4,4-trifluorobutane-1,3-dione

: 5220-49-5
3-amino-cyclohex-2-enone

: C16H12F3NO

Conditions

Conditions	Yield
In acetic acid for 7h; Reflux; regioselective reaction;	96%

: 5220-49-5
3-amino-cyclohex-2-enone

: 79-10-7
acrylic acid

: 5057-12-5
3,4,7,8-tetrahydro-2,5(1H,6H)-quinolinequinone

Conditions

Conditions	Yield
at 140℃; for 3h;	95%
for 6h; Reflux;	90.2%
In methanol	45.1%

: 67-56-1
methanol

: 5220-49-5
3-amino-cyclohex-2-enone

: 107-02-8
acrolein

: 98218-71-4
2-methoxy-2,3,4,6,7,8-hexahydro-1H-quinolin-5-one

Conditions

Conditions	Yield
	95%
for 6h; Heating;	91%

...Expand

: 2826-32-6
3-nitrobenzylidenemalononitrile

: 5220-49-5
3-amino-cyclohex-2-enone

: C16H12N4O3

Conditions

Conditions	Yield
In propan-1-ol for 4h; Heating;	95%

: 2826-22-4
4-fluorobenzylidenemalononitrile

: 5220-49-5
3-amino-cyclohex-2-enone

: C16H12FN3O

Conditions

Conditions	Yield
In propan-1-ol for 4h; Heating;	94%

: 50-00-0
formaldehyd

: 1677-46-9
4-hydroxy-1-methyl-2(1H)-quinolone

: 5220-49-5
3-amino-cyclohex-2-enone

: 3-[(2-amino-6-oxocyclohex-1-en-1-yl)methyl]-4-hydroxy-1-methyl-1,2-dihydroquinolin-2(1H)-one

Conditions

Conditions	Yield
In neat (no solvent) at 100℃; for 0.166667h; Green chemistry;	94%

...Expand

: 111-71-7
heptanal

: 550-24-3
embelin

: 5220-49-5
3-amino-cyclohex-2-enone

: 1448168-21-5
9-hexyl-2-hydroxy-3-undecyl-6,7-dihydroacridine-1,4,8-(5H,8H,10H)-trione

Conditions

Conditions	Yield
In ethanol at 150℃; for 0.25h; Microwave irradiation;	93%

...Expand

: 104-88-1
4-chlorobenzaldehyde

: 5220-49-5
3-amino-cyclohex-2-enone

: 109-77-3
malononitrile

: 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Conditions

Conditions	Yield
With zinc(II) oxide In ethanol at 80℃; for 0.5h; Sonication; Green chemistry;	93%
With iron oxide In ethanol for 0.2h; Reflux; Green chemistry;	92%
With magnesia In ethanol for 0.366667h; Reflux;	91%
With C12H24O6C6H4NO5S(1-)Na(1+) In ethanol for 0.25h; Reflux;	90%

...Expand

: 5220-49-5
3-amino-cyclohex-2-enone

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

: 727654-69-5
3-(4α-N,N-dimethylaminomethylene)amino-2-cyclohexen-1-one

Conditions

Conditions	Yield
Stage #1: 3-amino-cyclohex-2-enone; N,N-dimethyl-formamide dimethyl acetal In tetrahydrofuran for 2.5h; Heating; Stage #2: In toluene for 1h; Heating; Further stages.;	92%

: 1867-38-5
4-chlorobenzylidenemalonodinitrile

: 5220-49-5
3-amino-cyclohex-2-enone

: C16H12ClN3O

Conditions

Conditions	Yield
In propan-1-ol for 4h; Heating;	92%

: 1677-46-9
4-hydroxy-1-methyl-2(1H)-quinolone

: 100-52-7
benzaldehyde

: 5220-49-5
3-amino-cyclohex-2-enone

: C23H22N2O3

Conditions

Conditions	Yield
In neat (no solvent) at 100℃; for 0.333333h; Green chemistry;	92%

...Expand

: 1677-46-9
4-hydroxy-1-methyl-2(1H)-quinolone

: 5220-49-5
3-amino-cyclohex-2-enone

: 123-11-5
4-methoxy-benzaldehyde

: C24H24N2O4

Conditions

Conditions	Yield
In neat (no solvent) at 100℃; for 0.5h; Green chemistry;	92%

...Expand

: 100-52-7
benzaldehyde

: 5220-49-5
3-amino-cyclohex-2-enone

: 109-77-3
malononitrile

: 2-amino-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Conditions

Conditions	Yield
With zinc(II) oxide In ethanol at 80℃; for 0.533333h; Sonication; Green chemistry;	92%
With iron oxide In ethanol for 0.25h; Reflux; Green chemistry;	90%
With magnesia In ethanol for 0.4h; Reflux;	88%
With C12H24O6C6H4NO5S(1-)Na(1+) In ethanol for 0.3h; Reflux;	87%

...Expand

: 606-23-5
1H-indene-1,3(2H)-dione

: 41042-12-0
N-propylisatin

: 5220-49-5
3-amino-cyclohex-2-enone

: C26H22N2O3

Conditions

Conditions	Yield
With acetic acid In ethanol for 12h; Reflux;	91.5%

...Expand

: 606-23-5
1H-indene-1,3(2H)-dione

: 77218-99-6
1-(2-Chloroethyl)isatin

: 5220-49-5
3-amino-cyclohex-2-enone

: C25H19ClN2O3

Conditions

Conditions	Yield
With acetic acid In ethanol for 12h; Reflux;	91.5%

...Expand

: 893-33-4
4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione

: 5220-49-5
3-amino-cyclohex-2-enone

: C20H14F3NO

Conditions

Conditions	Yield
In acetic acid for 7h; Reflux; regioselective reaction;	91%

: 5220-49-5
3-amino-cyclohex-2-enone

: 87838-54-8
3-ethoxycarbonyltriazolo<1,5-a>pyridine

: ethyl 2-((3-oxocyclohex-1-en-1-yl)amino)-2-(pyridin-2-yl)acetate

Conditions

Conditions	Yield
With bis[rhodium(α,α,α',α'-tetramethyl-1,3-benzenedipropionic acid)] In 1,2-dichloro-ethane at 120℃; Inert atmosphere; Schlenk technique; Glovebox;	91%

: 606-23-5
1H-indene-1,3(2H)-dione

: 4290-91-9
N-butylisatin

: 5220-49-5
3-amino-cyclohex-2-enone

: C27H24N2O3

Conditions

Conditions	Yield
With acetic acid In ethanol for 12h; Reflux;	90.6%

...Expand

: 5220-49-5
3-amino-cyclohex-2-enone

: 87-13-8
diethyl 2-ethoxymethylenemalonate

: 72912-99-3
2-[(3-oxocyclohex-1-enylamino)methylene]malonic acid diethyl ester

Conditions

Conditions	Yield
	90%
at 130℃; for 4h;	90%
at 130℃; for 4h;	49%

: 2700-23-4
4-Nitrobenzylidenemalononitrile

: 5220-49-5
3-amino-cyclohex-2-enone

: C16H12N4O3

Conditions

Conditions	Yield
In propan-1-ol for 4h; Heating;	90%

3-Amino-2-cyclohexen-1-one Specification

The 2-Cyclohexen-1-one,3-amino-, with the CAS registry number 5220-49-5, is also known as 3-Aminocyclohex-2-en-1-one. It belongs to the product categories of Pharmacetical; C3 to C6; Carbonyl Compounds; Ketones. Its EINECS registry number is 226-014-9. This chemical's molecular formula is C₆H₉NO and molecular weight is 111.14176. Its IUPAC name is called 3-aminocyclohex-2-en-1-one. The product should be sealed and stored in cool and dry place.

Physical properties of 2-Cyclohexen-1-one,3-amino-: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 3.073; (4)ACD/KOC (pH 7.4): 7.173; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.52; (9)Molar Refractivity: 30.954 cm³; (10)Molar Volume: 101.809 cm³; (11)Surface Tension: 42.192 dyne/cm; (12)Density: 1.092 g/cm³; (13)Flash Point: 82.269 °C; (14)Enthalpy of Vaporization: 44.872 kJ/mol; (15)Boiling Point: 212.42 °C at 760 mmHg; (16)Vapour Pressure: 0.173 mmHg at 25°C.

Uses of 2-Cyclohexen-1-one,3-amino-: it can be used to produce 7,8-dihydro-6H-quinolin-5-one at ambient temperature. This reaction will need solvent dimethylformamide with reaction time of 12 hours. The yield is about 54%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(=CC(=O)C1)N
(2)InChI: InChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h4H,1-3,7H2
(3)InChIKey: ZZMRPOAHZITKBV-UHFFFAOYSA-N

Product Name

3-AMINO-2-CYCLOHEXEN-1-ONE

Synthetic route

3-Amino-2-cyclohexen-1-one Specification

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