N-Boc-piperidine-2-methanol
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N-Boc-piperidine-2-methanol
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CAS No:
157634-00-9
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Formula:
C11H21NO3
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Chemical Name:
N-Boc-piperidine-2-methanol
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Synonyms:
tert-Butyl 2-(hydroxymethyl)piperidine-1-carboxylate;TERT-BUTYL 2-(HYDROXYMETHYL)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE;N-Boc-2-(hydroxymethyl)piperidine;n-boc-piperidine-2-methanol;BOC-2-PIPERIDYLMETHANOL;2-HYDROXYMETHYL-1-N-BOC-PIPERIDINE;2-HYDROXYMETHYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-BOC-2-HYDROXYMETHYL-PIPERIDINE
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CAS No:
Characteristics
49.8
1.3
White Crystalline Powder
1.059±0.06 g/cm3(Predicted)
74-78°C
308.0±15.0 °C(Predicted)
140.1±20.4 °C
1.479
6.41E-05mmHg at 25°C
Safety Information
6.1
UN 2811
3
25-36/37/38
26-45
T
P261-P301 + P310-P305 + P351 + P338
H301-H315-H319-H335
|Danger|H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
N-Boc-piperidine-2-methanol Use and Manufacturing
INTERMEDIATE 28 (METHOD Z); ferf-Butyl 2-(hydroxymethylToa stirred solution of piperidin-2-ylmethanol (1.00 g, 8.68 mmol) in anhydrousDCM (33 mL) and triethylamine (4.30 mL, 30.9 mmol) was added BocPipridin-2-yl -methanol (1.3 g, 11.3 mmol) was taken in 10 mL of tetrahydrofuran. Aqueous sodium carbonate (10percent w/v, 20 mL) was added to it followed by di-tert-butyl dicarbonate (4.93 g, 22.6 mmol). The reaction mixture was stirred at room temperature for about 1 hour, cooled, then neutralized with 1.5 N hydrochloric acid solution till the solution attained a pH value of 6-6.5. The mixture was extracted with ethyl acetate. The organic layer was dried and concentrated to yield the title compound.Yield: 1.9 g (79percent).Step I (1): Example 8; 2-Hydroxymethyl-piperidine-l-carboxylic acid tert-butyl ester; Di-tert-butyl dicarbonate (8.3 g, 38.2 mmol) was added to a stirred solution of piperidinemethanol (4. 0g, 37.4 mmol) in CH2C12 (50 mL) and 1N NaOH (50 mL, 50 mmol) was added. The mixture was stirred at room temperature overnight. Reaction mixture was diluted with CH2C12 and the aqueous phase was separated. The aqueous phase was extracted with dichloromethane (3X30 mL). The combined organic phase was washed with water (30 mL) and brine (30 mL), dried (sodium sulfate), filtered and concentrated in-vacuo to give the crude product which was triturated with hexane to afford the title compound as white solid (4.8 g, 64percent).Step 1 EXAMPLE 90A/-methyl-4-{2-[(methyloxy)methyl]-1-piperidinyl}-3-(1 /-/-purin-6- ylamino)benzenesulfonamidea) 1 , 1 -dimethylethyl 2-(hydroxymethyl)-1-piperidinecarboxylateTo a solution of 2-piperidinylmethanol (2.30 g, 20 mmol) in CH
Computed Properties
Molecular Weight:215.29
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:215.15214353
Monoisotopic Mass:215.15214353
Topological Polar Surface Area:49.8
Heavy Atom Count:15
Complexity:222
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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