Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Phenyl-2-N-pyrrolidinopentane hydrochloride |
EINECS | 207-784-5 |
CAS No. | 493-92-5 | Density | 0.963 g/cm3 |
PSA | 3.24000 | LogP | 3.43150 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H23N | Boiling Point | 299.9 °C at 760 mmHg |
Molecular Weight | 217.354 | Flash Point | 123.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-[1-(Phenylmethyl)butyl]pyrrolidine; |
Article Data | 4 |
Prolintane
Conditions | Yield |
---|---|
With hydrogen In methanol under 3102.97 Torr; | 92% |
Conditions | Yield |
---|---|
With water Behandeln des erhaltenen 2-Pyrrolidino-valeronitrils mit Benzylmagnesiumchlorid in Tetrahydrofuran und Benzol; | |
With water Behandeln des erhaltenen 2-Pyrrolidino-valeronitrils mit Benzylmagnesiumchlorid in Tetrahydrofuran und Benzol; |
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: copper(l) iodide / tetrahydrofuran / 1.5 h / -78 - 20 °C 2: di-isopropyl azodicarboxylate; triphenylphosphine / tetrahydrofuran / 0 - 20 °C / Inert atmosphere 3: lithium aluminium tetrahydride / tetrahydrofuran / 0 °C / Reflux 4: hydrogen / methanol / 3102.97 Torr View Scheme |
1-phenylpent-4-en-2-ol
Prolintane
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: di-isopropyl azodicarboxylate; triphenylphosphine / tetrahydrofuran / 0 - 20 °C / Inert atmosphere 2: lithium aluminium tetrahydride / tetrahydrofuran / 0 °C / Reflux 3: hydrogen / methanol / 3102.97 Torr View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 12.5 h / 0 - 20 °C 2: copper(l) iodide / tetrahydrofuran / 1.5 h / -78 - 20 °C 3: di-isopropyl azodicarboxylate; triphenylphosphine / tetrahydrofuran / 0 - 20 °C / Inert atmosphere 4: lithium aluminium tetrahydride / tetrahydrofuran / 0 °C / Reflux 5: hydrogen / methanol / 3102.97 Torr View Scheme |
Prolintane
1-(1-Benzyl-butyl)-pyrrolidin-2-on
Conditions | Yield |
---|---|
With potassium permanganate; 18-crown-6 ether In dichloromethane for 1h; Heating; | 90% |
Prolintane
1-(1-Benzyl-butyl)-pyrrol
Conditions | Yield |
---|---|
With o-tetrachloroquinone In toluene for 20h; Heating; | 31% |
methyl bromide
Prolintane
1-methyl-1-(1-benzyl-butyl)-pyrrolidinium; bromide
Conditions | Yield |
---|---|
With acetone |
Prolintane
1-(1-p-Hydroxy-benzyl-butyl)-pyrrolidin-2-on
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 90 percent / KMnO4, 18-crown-6 / CH2Cl2 / 1 h / Heating View Scheme |
Prolintane
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 90 percent / KMnO4, 18-crown-6 / CH2Cl2 / 1 h / Heating 2: 96 percent / N KOH / methanol / 1 h / Heating View Scheme |
The 1-Phenyl-2-N-pyrrolidinopentane hydrochloride, with the CAS registry number 493-92-5, is also known as 1-[1-(Phenylmethyl)butyl]pyrrolidine. Its EINECS registry number is 207-784-5. This chemical's molecular formula is C15H23N and molecular weight is 217.3498. What's more, both its IUPAC name and systematic name are the same which is called 1-(1-Phenylpentan-2-yl)pyrrolidine.
Physical properties about 1-Phenyl-2-N-pyrrolidinopentane hydrochloride are: (1)ACD/LogP: 4.12; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.11; (7)ACD/KOC (pH 5.5): 3.33; (8)ACD/KOC (pH 7.4): 5.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 69.63 cm3; (15)Molar Volume: 225.6 cm3; (16)Polarizability: 27.6×10-24 cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 0.963 g/cm3; (19)Flash Point: 123.3 °C; (20)Enthalpy of Vaporization: 53.99 kJ/mol; (21)Boiling Point: 299.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00116 mmHg at 25 °C.
Uses of 1-Phenyl-2-N-pyrrolidinopentane hydrochloride: it is used to produce 1-(1-Benzyl-butyl)-pyrrolidin-2-one. The reaction occurs with reagents KMnO4, 18-crown-6 and solvent CH2Cl2 The reaction time is 1 hour. The yield is 90%.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccccc1CC(N2CCCC2)CCC
(2) InChI: InChI=1/C15H23N/c1-2-8-15(16-11-6-7-12-16)13-14-9-4-3-5-10-14/h3-5,9-10,15H,2,6-8,11-13H2,1H3
(3) InChIKey: OJCPSBCUMRIPFL-UHFFFAOYAY
The toxicity data is as follows:
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
log P (octanol-water) | 4.280 | (none) | EST | |
Atmospheric OH Rate Constant | 1.18E-10 | cm3/molecule-sec | 25 | EST |