3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl- supplier

Name
(+/-)-TRANS-4-(FLUOROPHENYL)-3-HYDROXYMETHYL-1-METHYLPIPERIDINE
EINECS
CAS No. 318279-38-8
Article Data11
CAS DataBase
Density 1.092 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈FNO
Boiling Point 300.283 °C at 760 mmHg
Molecular Weight 223.29
Flash Point 135.406 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ((3R)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl)methanol;
PSA 23.47000
LogP 1.79120

Synthetic route

: 202534-94-9
trans 3-ethoxycarbonyl-4-(4'-fluorophenyl)-N-methyl-piperidine-2,6-dione

: 7664-93-9
sulfuric acid

: 318279-38-8
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine

Conditions

Conditions	Yield
With sodium hydroxide In tetrahydrofuran	91%
With sodium hydroxide In tetrahydrofuran	91%

: 202534-94-9
trans 3-ethoxycarbonyl-4-(4'-fluorophenyl)-N-methyl-piperidine-2,6-dione

: 318279-38-8
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran; dichloromethane; toluene at -15 - 40℃; for 2.5h; Solvent; Inert atmosphere;	75%
With sodium hydroxide In tetrahydrofuran; water	65%

aqueous formaldehyde (formalin): aqueous formaldehyde (formalin)

: 216690-19-6
(3RS,4SR)-[4-(4-fluoro-phenyl)-piperidin-3-yl]-methanol

: 318279-38-8
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine

Conditions

Conditions	Yield
aluminum nickel In methanol; water

: 315197-82-1
4-(4-fluorophenyl)-1-methyl-piperidine-3-carboxylic acid methyl ester

: 318279-38-8
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine

Conditions

Conditions	Yield
Stage #1: 4-(4-fluorophenyl)-1-methyl-piperidine-3-carboxylic acid methyl ester With sodium bis(2-methoxyethoxy)aluminium dihydride In toluene at 27 - 40℃; for 0.25h; Stage #2: With hydrogenchloride In water; toluene at 12℃; for 0.25h;

: 4-p-fluorophenyl-3-formyl-1-methylpyridinium bromide

: 64-17-5
ethanol

: 144-55-8
sodium hydrogencarbonate

: 318279-38-8
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine

Conditions

Conditions	Yield
platinum (IV) oxide In dichloromethane

...Expand

: 598-56-1
N,N-dimethyl-ethanamine

: 98-59-9
p-toluenesulfonyl chloride

: 105812-81-5
(3S,4R)-trans-4-(4-fluorophenyl)-3-hydroxymethyl-N-methylpiperidine

: 318279-38-8
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine

: 317323-77-6
(3S,4R)-trans-4-(4-fluorophenyl)-1-methyl-3-p-toluenesulphonyloxymethyl-piperidine

Conditions

Conditions	Yield
With sodium hydroxide In dichloromethane

...Expand

3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl- Specification

The 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl-, with the CAS registry number 318279-38-8, is also known as ((3R)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl)methanol. This chemical's molecular formula is C₁₃H₁₈FNO and molecular weight is 223.2865. What's more, its systematic name is called [4-(4-Fluorophenyl)-1-methylpiperidin-3-yl]methanol.

Physical properties about 3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl- are: (1)ACD/LogP: 2.00; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 23.47 Å²; (7)Index of Refraction: 1.518; (8)Molar Refractivity: 62 cm³; (9)Molar Volume: 204.473 cm³; (10)Polarizability: 24.579×10^-24 cm³; (11)Surface Tension: 36.104 dyne/cm; (12)Density: 1.092 g/cm³; (13)Flash Point: 135.406 °C; (14)Enthalpy of Vaporization: 57.059 kJ/mol; (15)Boiling Point: 300.283 °C at 760 mmHg; (16)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc(cc1)C2CCN(C)CC2CO
(2) InChI: InChI=1/C13H18FNO/c1-15-7-6-13(11(8-15)9-16)10-2-4-12(14)5-3-10/h2-5,11,13,16H,6-9H2,1H3
(3) InChIKey: CXRHUYYZISIIMT-UHFFFAOYAO

Product Name

(+/-)-TRANS-4-(FLUOROPHENYL)-3-HYDROXYMETHYL-1-METHYLPIPERIDINE

Synthetic route

3-Piperidinemethanol,4-(4-fluorophenyl)-1-methyl- Specification

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