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Cas Database |
| Name |
1-Phenylcyclopentylamine |
EINECS | N/A |
| CAS No. | 17380-74-4 | Density | 1.014g/cm3 |
| PSA | 26.02000 | LogP | 3.11490 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C11 H15 N | Boiling Point | 253.2 °C at 760 mmHg |
| Molecular Weight | 161.247 | Flash Point | 110 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Cyclopentylamine,1-phenyl- (7CI,8CI);1-Phenylcyclopentylamine; |
Article Data | 17 |
1-Phenylcyclopentylamine Synthetic route
- 77-55-4
1-phenyl-1-cyclopentanecarboxylic acid
- 17380-74-4
1-phenylcyclopentylamine
| Conditions | Yield |
|---|---|
| Stage #1: 1-phenyl-1-cyclopentanecarboxylic acid With chloroformic acid ethyl ester; triethylamine In water; acetone at 0℃; for 0.5h; Stage #2: With sodium azide In water; acetone at 0℃; for 1h; Stage #3: With hydrogenchloride; tert-butyl alcohol more than 3 stages; | 61% |
| Multi-step reaction with 2 steps 1: SOCl2 / dimethylformamide 2: (i) NaN3, xylene, (ii) aq. HCl View Scheme |
- 77-55-4
1-phenyl-1-cyclopentanecarboxylic acid
- 1487-43-0
2-chloroethyl formate
- 17380-74-4
1-phenylcyclopentylamine
| Conditions | Yield |
|---|---|
| Stage #1: 1-phenyl-1-cyclopentanecarboxylic acid; 2-chloroethyl formate In water; acetone at 0℃; for 0.5h; Stage #2: With sodium azide In H20 at 0℃; for 1h; Stage #3: With hydrogenchloride; tert-butyl alcohol more than 3 stages; | 61% |
- 66021-70-3
1-(1-azidocyclopentyl)benzene
- 17380-74-4
1-phenylcyclopentylamine
| Conditions | Yield |
|---|---|
| With Raney nickel In isopropyl alcohol at 60 - 70℃; | 40% |
| With lithium aluminium tetrahydride In diethyl ether for 3h; Yield given; | |
| With lithium aluminium tetrahydride In diethyl ether at 20℃; for 3h; Inert atmosphere; | |
| With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 20℃; for 3h; Inert atmosphere; | 291 mg |
- 10487-96-4
1-phenylcyclopentanol
- 17380-74-4
1-phenylcyclopentylamine
| Conditions | Yield |
|---|---|
| (i) NaN3, CF3CO2H, CHCl3, (ii) Raney-Ni, iPrOH; Multistep reaction; | |
| Multi-step reaction with 2 steps 1: NaN3, CF3COOH / CHCl3 / Ambient temperature 2: LiAlH4 / diethyl ether / 3 h View Scheme | |
| Multi-step reaction with 2 steps 1: sodium azide; trifluoroacetic acid / dichloromethane / 1.25 h / -5 - 0 °C / Inert atmosphere 2: lithium aluminium tetrahydride / diethyl ether / 3 h / 20 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 2 steps 1: trifluoroacetic acid; sodium azide / dichloromethane / 1 h / -5 - 0 °C / Inert atmosphere 2: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 0 - 20 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 2 steps 1: sodium azide; trifluoroacetic acid / chloroform / 0 - 20 °C 2: Raney nickel / isopropyl alcohol / 60 - 70 °C View Scheme |
- 17380-62-0
1-phenylcyclopentanecarboxylic acid chloride
- 17380-74-4
1-phenylcyclopentylamine
| Conditions | Yield |
|---|---|
| With sodium azide In toluene | |
| (i) NaN3, xylene, (ii) aq. HCl; Multistep reaction; |
- 17380-67-5
Methyl-(1-phenylcyclopentyl)-carbamat
- 17380-74-4
1-phenylcyclopentylamine
| Conditions | Yield |
|---|---|
| With potassium hydroxide In diethylene glycol |
- 17380-74-4
1-phenylcyclopentylamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: tetrahydrofuran / 0.33 h 2: NaN3, CF3COOH / CHCl3 / Ambient temperature 3: LiAlH4 / diethyl ether / 3 h View Scheme |
- 120-92-3
cyclopentanone
- 17380-74-4
1-phenylcyclopentylamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: tetrahydrofuran / 0.33 h 2: NaN3, CF3COOH / CHCl3 / Ambient temperature 3: LiAlH4 / diethyl ether / 3 h View Scheme | |
| Multi-step reaction with 3 steps 1.1: magnesium / tetrahydrofuran / 1.17 h / Cooling with ice; Reflux 1.2: 3 h / 0 - 20 °C 2.1: sodium azide; trifluoroacetic acid / dichloromethane / 1.25 h / -5 - 0 °C / Inert atmosphere 3.1: lithium aluminium tetrahydride / diethyl ether / 3 h / 20 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 3 steps 1: n-butyllithium / tetrahydrofuran; hexane / 1 h / -78 °C / Inert atmosphere 2: trifluoroacetic acid; sodium azide / dichloromethane / 1 h / -5 - 0 °C / Inert atmosphere 3: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 0 - 20 °C / Inert atmosphere View Scheme |
- 77-57-6
1-phenyl-1-cyclopentanecarbonitrile
- 17380-74-4
1-phenylcyclopentylamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: H2SO4 2: Br2 / methanol 3: KOH / bis-(2-hydroxy-ethyl) ether View Scheme | |
| Multi-step reaction with 3 steps 1: KOH / bis-(2-hydroxy-ethyl) ether 2: SOCl2 / dimethylformamide 3: (i) NaN3, xylene, (ii) aq. HCl View Scheme |
- 5296-89-9
1-phenylcyclopentane-1-carboxamide
- 17380-74-4
1-phenylcyclopentylamine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: Br2 / methanol 2: KOH / bis-(2-hydroxy-ethyl) ether View Scheme |
1-Phenylcyclopentylamine Specification
The 1-Phenylcyclopentylamine with cas registry number of 17380-74-4, is also named Cyclopentylamine,1-phenyl- (7CI,8CI) ; 1-Phenylcyclopentylamine .
Physical properties of 1-Phenylcyclopentylamine : (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.59; (4)ACD/LogD (pH 7.4): -0.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.69; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 50.96 cm3; (15)Molar Volume: 158.9 cm3; (16)Polarizability: 20.2×10-24cm3; (17)Surface Tension: 43.3 dyne/cm; (18)Enthalpy of Vaporization: 49.06 kJ/mol; (19)Vapour Pressure: 0.0185 mmHg at 25°C .
You can still convert the following datas into molecular structure: (1)SMILES:c1cc(ccc1)C2(N)CCCC2; (2)InChI:InChI=1/C11H15N/c12-11(8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,12H2; (3)InChIKey:YXAQCAOJLDGGDZ-UHFFFAOYAR; (4)Std. InChI:InChI=1S/C11H15N/c12-11(8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,12H2; (5)Std. InChIKey:YXAQCAOJLDGGDZ-UHFFFAOYSA-N .
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