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| CAS No.: | 3399-73-3 |
|---|---|
| Name: | 2-(1-CYCLOHEXENYL)ETHYLAMINE |
| Article Data: | 21 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H15N |
| Molecular Weight: | 125.214 |
| Synonyms: | 1-Cyclohexene-1-ethylamine(6CI,7CI);1-(2-Aminoethyl)cyclohexene;1-Cyclohexen-1-ylethylamine;2-(1-Cyclohexen-1-yl)ethylamine;2-(1-Cyclohexenyl)ethanamine;2-(1-Cyclohexenyl)ethylamine;2-(Cyclohexenyl)ethanamine;NSC 26453;Cyclohexylethylamine; |
| EINECS: | 222-267-4 |
| Density: | 0.9 g/cm3 |
| Melting Point: | -55 °C |
| Boiling Point: | 197.5 °C at 760 mmHg |
| Flash Point: | 57 °C |
| Appearance: | clear slightly yellow liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-45-36/37/39 |
| PSA: | 26.02000 |
| LogP: | 2.53590 |
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| Conditions | Yield |
|---|---|
| With sodium bis(2-methoxyethoxy)aluminium dihydride In tetrahydrofuran at 15℃; for 21h; Solvent; Inert atmosphere; Green chemistry; | 95% |
| With hydrogen In ethanol at 70℃; under 15001.5 Torr; Temperature; Pressure; Autoclave; | 91.8% |
| With lithium aluminium tetrahydride In di-isopropyl ether 1.) 5 deg C, 1 h, 2.) RT, 2 h; | 89.5% |
- 648910-21-8
N-[(3-methyl-2-butenyl)oxycarbonyl]-2-(1-cyclohexenyl)ethylamine
- 3399-73-3
2-(1-cyclohexenyl)ethylamine
| Conditions | Yield |
|---|---|
| Stage #1: N-[(3-methyl-2-butenyl)oxycarbonyl]-2-(1-cyclohexenyl)ethylamine With iodine In methanol at 20℃; for 7h; Stage #2: With zinc In methanol at 20℃; for 0.5h; | 88% |
- 3399-73-3
2-(1-cyclohexenyl)ethylamine
| Conditions | Yield |
|---|---|
| With hydrogenchloride In ethanol; water at 80℃; for 5h; Temperature; Solvent; | 80% |
- 87143-30-4
(cyclohex-1-en-1-yl)-CH2-CO-NH2
- 3399-73-3
2-(1-cyclohexenyl)ethylamine
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride |
- 245321-69-1
(2-Cyclohex-1-enyl-ethyl)-carbamic acid benzyl ester
- 3399-73-3
2-(1-cyclohexenyl)ethylamine
| Conditions | Yield |
|---|---|
| With triethylsilane; triethylamine; palladium diacetate In dichloromethane at 23℃; for 12h; Hydrogenolysis; |
- 3399-73-3
2-(1-cyclohexenyl)ethylamine
| Conditions | Yield |
|---|---|
| With iodine; zinc In methanol for 0.5h; |
- 6975-71-9
1-cyclohexenylacetonitrile
A
- 4442-85-7
2-cyclohexylethylamine
B
- 3399-73-3
2-(1-cyclohexenyl)ethylamine
| Conditions | Yield |
|---|---|
| With ammonia; hydrogen; chromium; cobalt; iron; nickel In methanol at 100℃; under 60004.8 Torr; |
- 6975-71-9
1-cyclohexenylacetonitrile
A
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2-cyclohexylideneacetonitrile
B
- 4435-14-7
2-cyclohexylacetonitrile
C
- 4442-85-7
2-cyclohexylethylamine
D
- 3399-73-3
2-(1-cyclohexenyl)ethylamine
| Conditions | Yield |
|---|---|
| With Raney Co; ammonia; hydrogen In methanol at 100℃; under 60004.8 Torr; Product distribution; Further Variations:; Reagents; |
- 42185-27-3
2-(cyanomethyl)cyclohexanone
- 3399-73-3
2-(1-cyclohexenyl)ethylamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: NaBH4 / methanol; H2O / 1 h / Ambient temperature 2: acetic anhydride / 6 h / Heating 3: 89.5 percent / lithium aluminum hydride / diisopropyl ether / 1.) 5 deg C, 1 h, 2.) RT, 2 h View Scheme |
- 90242-33-4
2-(2-hydroxycyclohexyl)acetonitrile
- 3399-73-3
2-(1-cyclohexenyl)ethylamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: acetic anhydride / 6 h / Heating 2: 89.5 percent / lithium aluminum hydride / diisopropyl ether / 1.) 5 deg C, 1 h, 2.) RT, 2 h View Scheme |
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Specification
The 1-Cyclohexene-1-ethanamine, with the CAS registry number 3399-73-3, is also known as Cyclohexylethylamine. It belongs to the product categoriy of Pharmaceutical Intermediates. Its EINECS number is 222-267-4. This chemical's molecular formula is C8H15N and molecular weight is 125.21. What's more, its systematic name is 2-(cyclohexen-1-yl)ethanamine. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light. It is used as organic reagents and pharmaceutical intermediates.
Physical properties of 1-Cyclohexene-1-ethanamine are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.84; (4)ACD/LogD (pH 7.4): -0.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 3.24 Å2; (11)Index of Refraction: 1.489; (12)Molar Refractivity: 40.13 cm3; (13)Molar Volume: 138.9 cm3; (14)Polarizability: 15.9×10-24cm3; (15)Surface Tension: 33.5 dyne/cm; (16)Density: 0.9 g/cm3; (17)Flash Point: 73.2 °C; (18)Enthalpy of Vaporization: 43.37 kJ/mol; (19)Boiling Point: 197.5 °C at 760 mmHg; (20)Vapour Pressure: 0.378 mmHg at 25°C.
Preparation: this chemical can be prepared by cyclohex-1-enyl-acetonitrile at the temperature of 5 °C. This reaction will need reagent lithium aluminum hydride and solvent diisopropyl ether with the reaction time of 1 hour. The yield is about 89.5%.
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Uses of 1-Cyclohexene-1-ethanamine: it can be used to produce (2-cyclohex-1-enyl-ethyl)-carbamic acid methyl ester. It will need reagent Et3N and solvent CH2Cl2. The yield is about 99%.
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When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(=CC1)CCN
(2)InChI: InChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7,9H2
(3)InChIKey: IUDMXOOVKMKODN-UHFFFAOYSA-N