Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Cyclohexene-1-ethanamine |
EINECS | 222-267-4 |
CAS No. | 3399-73-3 | Density | 0.9 g/cm3 |
PSA | 26.02000 | LogP | 2.53590 |
Solubility | N/A | Melting Point |
-55 °C |
Formula | C8H15N | Boiling Point | 197.5 °C at 760 mmHg |
Molecular Weight | 125.214 | Flash Point | 57 °C |
Transport Information | N/A | Appearance | clear slightly yellow liquid |
Safety | 26-45-36/37/39 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | C | |
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; |
Article Data | 21 |
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% |
N-[(3-methyl-2-butenyl)oxycarbonyl]-2-(1-cyclohexenyl)ethylamine
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% |
2-(1-cyclohexenyl)ethylamine
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol; water at 80℃; for 5h; Temperature; Solvent; | 80% |
(cyclohex-1-en-1-yl)-CH2-CO-NH2
2-(1-cyclohexenyl)ethylamine
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride |
(2-Cyclohex-1-enyl-ethyl)-carbamic acid benzyl ester
2-(1-cyclohexenyl)ethylamine
Conditions | Yield |
---|---|
With triethylsilane; triethylamine; palladium diacetate In dichloromethane at 23℃; for 12h; Hydrogenolysis; |
2-(1-cyclohexenyl)ethylamine
Conditions | Yield |
---|---|
With iodine; zinc In methanol for 0.5h; |
1-cyclohexenylacetonitrile
A
2-cyclohexylethylamine
B
2-(1-cyclohexenyl)ethylamine
Conditions | Yield |
---|---|
With ammonia; hydrogen; chromium; cobalt; iron; nickel In methanol at 100℃; under 60004.8 Torr; |
1-cyclohexenylacetonitrile
A
2-cyclohexylideneacetonitrile
B
2-cyclohexylacetonitrile
C
2-cyclohexylethylamine
D
2-(1-cyclohexenyl)ethylamine
Conditions | Yield |
---|---|
With Raney Co; ammonia; hydrogen In methanol at 100℃; under 60004.8 Torr; Product distribution; Further Variations:; Reagents; |
2-(cyanomethyl)cyclohexanone
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 |
2-(2-hydroxycyclohexyl)acetonitrile
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 |
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%.
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%.
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