CAS No.493-92-5,prolintane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	493-92-5
Name:	prolintane
Article Data:	4

Formula:	C₁₅H₂₃N
Molecular Weight:	217.354
Synonyms:	1-[1-(Phenylmethyl)butyl]pyrrolidine;
EINECS:	207-784-5
Density:	0.963 g/cm³
Boiling Point:	299.9 °C at 760 mmHg
Flash Point:	123.3 °C
PSA:	3.24000
LogP:	3.43150

Synthetic route

: 1-(1-benzylbut-3-enyl)pyrrolidine

: 493-92-5
Prolintane

Conditions

Conditions	Yield
With hydrogen In methanol under 3102.97 Torr;	92%

: 25150-61-2
pyrrolidine hydrochloride

: 123-72-8
butyraldehyde

alkali cyanide: alkali cyanide

: 493-92-5
Prolintane

Conditions

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;

...Expand

: 4436-24-2
1,2-epoxy-3-phenylpropane

: 493-92-5
Prolintane

Conditions

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

: 61077-65-4
1-phenylpent-4-en-2-ol

: 493-92-5
Prolintane

Conditions

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

: 300-57-2
allylbenzene

: 493-92-5
Prolintane

Conditions

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

: 493-92-5
Prolintane

: 35259-27-9
1-(1-Benzyl-butyl)-pyrrolidin-2-on

Conditions

Conditions	Yield
With potassium permanganate; 18-crown-6 ether In dichloromethane for 1h; Heating;	90%

: 493-92-5
Prolintane

: 139925-12-5
1-(1-Benzyl-butyl)-pyrrol

Conditions

Conditions	Yield
With o-tetrachloroquinone In toluene for 20h; Heating;	31%

: 74-83-9
methyl bromide

: 493-92-5
Prolintane

: 132568-51-5
1-methyl-1-(1-benzyl-butyl)-pyrrolidinium; bromide

Conditions

Conditions	Yield
With acetone

: 493-92-5
Prolintane

: 40431-15-0
1-(1-p-Hydroxy-benzyl-butyl)-pyrrolidin-2-on

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 90 percent / KMnO4, 18-crown-6 / CH2Cl2 / 1 h / Heating View Scheme

: 493-92-5
Prolintane

: N-(1-Benzyl-butyl)-4-amino-buttersaeure

Conditions

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

Raw Materials

25150-61-2

123-72-8

Downstream Products

35259-27-9

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Specification

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^-24cm³; (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%.

1-Phenyl-2-N-pyrrolidinopentane hydrochloride is used to produce 1-(1-Benzyl-butyl)-pyrrolidin-2-one.

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