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CAS No.: | 318279-38-8 |
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Name: | (+/-)-TRANS-4-(FLUOROPHENYL)-3-HYDROXYMETHYL-1-METHYLPIPERIDINE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C13H18FNO |
Molecular Weight: | 223.29 |
Synonyms: | ((3R)-4-(4-Fluorophenyl)-1-methylpiperidin-3-yl)methanol; |
Density: | 1.092 g/cm3 |
Boiling Point: | 300.283 °C at 760 mmHg |
Flash Point: | 135.406 °C |
PSA: | 23.47000 |
LogP: | 1.79120 |
trans 3-ethoxycarbonyl-4-(4'-fluorophenyl)-N-methyl-piperidine-2,6-dione
sulfuric acid
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine
Conditions | Yield |
---|---|
With sodium hydroxide In tetrahydrofuran | 91% |
With sodium hydroxide In tetrahydrofuran | 91% |
trans 3-ethoxycarbonyl-4-(4'-fluorophenyl)-N-methyl-piperidine-2,6-dione
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine
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% |
(3RS,4SR)-[4-(4-fluoro-phenyl)-piperidin-3-yl]-methanol
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine
Conditions | Yield |
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aluminum nickel In methanol; water |
4-(4-fluorophenyl)-1-methyl-piperidine-3-carboxylic acid methyl ester
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine
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; |
ethanol
sodium hydrogencarbonate
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine
Conditions | Yield |
---|---|
platinum (IV) oxide In dichloromethane |
N,N-dimethyl-ethanamine
p-toluenesulfonyl chloride
(3S,4R)-trans-4-(4-fluorophenyl)-3-hydroxymethyl-N-methylpiperidine
trans-4-(4'-Fluorophenyl)-3-hydroxymethyl-N-methyl piperidine
(3S,4R)-trans-4-(4-fluorophenyl)-1-methyl-3-p-toluenesulphonyloxymethyl-piperidine
Conditions | Yield |
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With sodium hydroxide In dichloromethane |
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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