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| CAS No.: | 5220-49-5 |
|---|---|
| Name: | 3-AMINO-2-CYCLOHEXEN-1-ONE |
| Molecular Structure: | |
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|
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| Formula: | C6H9NO |
| Molecular Weight: | 111.144 |
| Synonyms: | 3-Amino-2-cyclohexene-1-one;3-Aminocyclohex-2-en-1-one;NSC 106700; |
| EINECS: | 226-014-9 |
| Density: | 1.091 g/cm3 |
| Melting Point: | 129-133 °C(lit.) |
| Boiling Point: | 212.42 °C at 760 mmHg |
| Flash Point: | 82.269 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 43.09000 |
| LogP: | 1.28230 |
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| 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% |
| 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 | Yield |
|---|---|
| With ammonium acetate; acetic acid In benzene for 0.3h; Heating; | 85% |
| With ammonium acetate In benzene for 5h; Reflux; | 31% |
| 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 | Yield |
|---|---|
| With acetic acid In water | 65% |
| 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
B
- 5220-49-5
3-amino-cyclohex-2-enone
| Conditions | Yield |
|---|---|
| With tert.-butylhydroperoxide; copper diacetate In water at 30℃; for 12h; Reagent/catalyst; | A 55% B n/a |
| 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 | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 23h; Green chemistry; |
- 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 | 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. |
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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%.
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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