239372
3-Amino-2-cyclohexen-1-one
99%
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About This Item
Linear Formula:
H2NC6H7O
CAS Number:
Molecular Weight:
111.14
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
226-014-9
Beilstein/REAXYS Number:
471354
MDL number:
Assay:
99%
InChI key
ZZMRPOAHZITKBV-UHFFFAOYSA-N
InChI
1S/C6H9NO/c7-5-2-1-3-6(8)4-5/h4H,1-3,7H2
SMILES string
NC1=CC(=O)CCC1
assay
99%
mp
129-133 °C (lit.)
functional group
ketone
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Application
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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Patrice L Jackson et al.
Bioorganic & medicinal chemistry, 17(1), 133-140 (2008-12-09)
3D-QSAR studies comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) were carried out on 26 structurally diverse subcutaneous pentylenetetrazol (scPTZ) active enaminone analogues, previously synthesized in our laboratory. CoMFA and CoMSIA were employed to generate models
Atul R Gholap et al.
Bioorganic & medicinal chemistry, 15(21), 6705-6715 (2007-09-04)
A series of 2-amino-5-oxo-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile and various analogues have been synthesized in excellent isolated yields starting from various arylidenemalononitrile and 3-amino-2-cyclohexen-1-one in 1-propanol as solvent at reflux temperature in the absence of any added catalyst. All the synthesized compounds were evaluated
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