| Identification | More | [Name]
3-AMINO-2-CYCLOHEXEN-1-ONE | [CAS]
5220-49-5 | [Synonyms]
3-AMINO-2-CYCLOHEXEN-1-ONE
3-AMINOCYCLOHEX-2-EN-1-ONE
3-AMINO-CYCLOHEX-2-ENONE
AKOS 91521
2-Cyclohexen-1-one,3-amino-
3-AMINO-2-CYCLOHEXENE-1-ONE
3-Amino-2-Cyclohexen-1-Ketone
3-Amino-2-cyclohexen-1-one hydrate
3-Amino-2-cyclohexen-1-one hemihydrate, 98%
3-Aminocyclohex-2-en-1-one 98%
3-AMINO-2-CYCLOHEXEN-1-ONE HYDRATE , CA 3-5% WATER
3-AMINO-2-CYCLOHEXENE-1-KETONE
3-Amino-2-cyclohexen-1-one hydrate, 98%, ca 3-5% water
1-Aminocyclohexene-3-one
3-Amino-2-cyclohexen-1-one, 98% (dry wt.), may cont. up to 5% water | [EINECS(EC#)]
226-014-9 | [Molecular Formula]
C6H9NO | [MDL Number]
MFCD00013783 | [Molecular Weight]
111.14 | [MOL File]
5220-49-5.mol |
| Chemical Properties | Back Directory | [Melting point ]
129-133 °C (lit.) | [Boiling point ]
212.4±30.0 °C(Predicted) | [density ]
1.091±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Store in freezer, under -20°C | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
5.65±0.20(Predicted) | [color ]
Light yellow to Brown to Dark green | [BRN ]
471354 | [InChI]
InChI=1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h4H,1-3,7H2 | [InChIKey]
ZZMRPOAHZITKBV-UHFFFAOYSA-N | [SMILES]
C1(=O)CCCC(N)=C1 | [CAS DataBase Reference]
5220-49-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [F ]
4.6 | [Hazard Note ]
Irritant | [HS Code ]
29223990 |
| Hazard Information | Back Directory | [Chemical Properties]
Dark yellow crystal | [Uses]
3-Amino-2-cyclohexen-1-one was used in the synthesis of a series of 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitriles. | [Synthesis]
General procedure for the synthesis of 3-amino-2-cyclohexen-1-one from 1,3-cyclohexanedione: 1,3-cyclohexanedione (0.03 mol) and ammonium acetate (0.039 mol) were added to a 100 mL three-necked flask, and the mixture was thoroughly stirred. The mixture was placed in an oil bath at 110°C for 15 min of reaction. Upon completion of the reaction, the oil bath was removed and the reaction system was allowed to cool naturally, at which time the reaction solution gradually solidified. After cooling to room temperature, ethyl acetate (10 mL) was added to the reaction mixture and heated to dissolve the solid, which was subsequently cooled to 0°C to promote crystallization. The precipitated solid was collected by filtration and dried to give yellow crystals of 3-amino-2-cyclohexen-1-one in 93.6% yield. | [References]
[1] New Journal of Chemistry, 2005, vol. 29, # 6, p. 769 - 772
[2] Patent: CN107337639, 2017, A. Location in patent: Paragraph 0120; 0123; 0135; 0144-0146; 0157; 0168; 0179
[3] Synlett, 2009, # 5, p. 818 - 822
[4] Synthetic Communications, 1998, vol. 28, # 7, p. 1197 - 1200
[5] Tetrahedron, 2003, vol. 59, # 43, p. 8589 - 8595 |
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