CAS No.17380-74-4,1-Phenylcyclopentylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17380-74-4
Name:	1-Phenylcyclopentylamine
Article Data:	17

Formula:	C₁₁ H₁₅ N
Molecular Weight:	161.247
Synonyms:	Cyclopentylamine,1-phenyl- (7CI,8CI);1-Phenylcyclopentylamine;
Density:	1.014g/cm³
Boiling Point:	253.2 °C at 760 mmHg
Flash Point:	110 °C
PSA:	26.02000
LogP:	3.11490

Synthetic route

: 77-55-4
1-phenyl-1-cyclopentanecarboxylic acid

: 17380-74-4
1-phenylcyclopentylamine

Conditions

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

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

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

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

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

Conditions	Yield
With potassium hydroxide In diethylene glycol

: phenylmagnesium bromide

: 17380-74-4
1-phenylcyclopentylamine

Conditions

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

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

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

Conditions	Yield
Multi-step reaction with 2 steps 1: Br2 / methanol 2: KOH / bis-(2-hydroxy-ethyl) ether View Scheme

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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 .