1-Methyl-3-piperidinemethanol
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1-Methyl-3-piperidinemethanol
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CAS No:
7583-53-1
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Formula:
C7H15NO
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Chemical Name:
1-Methyl-3-piperidinemethanol
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Synonyms:
3-Piperidinemethanol,1-methyl-;1-Methyl-3-piperidinemethanol;3-(Hydroxymethyl)-1-methylpiperidine;N-Methylpiperidine-3-methanol;(1-Methylpiperidin-3-yl)methanol;3-Hydroxymethyl-N-methylpiperidine;NSC 66541;N-Methyl-3-hydroxymethylpiperidine;1-Methyl-3-hydroxymethylpiperidine;126291-71-2
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CAS No:
Characteristics
23.5
0.3
clear colorless to yellow liquid
0.9649 g/cm3
142.5 °C
94.4±0.0 °C
1.464
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
III
R36/37/38
S24/25
Xi:Irritant;
Stable under normal shipping and handling conditions.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Methyl-3-piperidinemethanol Use and Manufacturing
To a solution of 4-[(2, 4-dichloro-5-methoxyphenyl)amino]-7-fluoro-6-methoxy-3-quinolinecarbonitrile (250 mg, 0.64 mmol) and 1-methylpiperidine-3-methanol (165 mg, 1.28 mmol) in 6 mL of N, N'-dimethylformamide at 135° C. is added sodium hydride (92 mg, 3.8 mmol) in portions. After 1 hour an additional 92 mg of sodium hydride is added to the reaction mixture at 135° C. After 30 minutes the reaction mixture is poured into saturated sodium bicarbonate. After stirring for 15 minutes the solid is collected by filtration. The residue is purified by flash column chromatography, eluting with a gradient of 5percent methanol in dichloromethane to 1percent ammonium hydroxide in 10percent methanol in dichloromethane. After an additional purification by flash column chromatography eluting with a gradient of 5percent methanol in dichloromethane to 25percent methanol in dichloromethane, 4-[(2, 4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[(2-(1-methyl-3-piperidinyl)methoxy]-3-quinolinecarbonitrile is obtained, mp 176-178° C. [0440] MS 499.09 (M-H)-[0441] Analysis for C25H26Cl2N4O3-0.3 H2O [0442] Calcd: C, 59.25; H, 5.29; N, 11.06. [0443] Found: C, 59.18; H, 5.20; N, 10.91.
Computed Properties
Molecular Weight:129.20
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:129.115364102
Monoisotopic Mass:129.115364102
Topological Polar Surface Area:23.5
Heavy Atom Count:9
Complexity:85
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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