1-N-BOC-PIPERIDINE-3-CARBOXAMIDE
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1-N-BOC-PIPERIDINE-3-CARBOXAMIDE
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CAS No:
91419-49-7
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Formula:
C11H20N2O3
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Chemical Name:
1-N-BOC-PIPERIDINE-3-CARBOXAMIDE
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Synonyms:
1-N-BOC-PIPERIDINE-3-CARBOXAMIDE;1-N-Boc-3-piperidinecarboxamide;1-TERT-BUTOXYCARBONYL-3-METHYLAMINOPIPERIDINE;1-Boc-piperidine-3-carboxamide;1-Piperidinecarboxylic acid, 3-(aminocarbonyl)-, 1,1-dimethylethyl ester;1-N-BOC-3-CARBAMOYLPIPERIDINE;tert-butyl 3-(aminocarbonyl)piperidine-1-carboxylate;1-Boc-3-piperidinecarboxamide
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CAS No:
1-N-BOC-PIPERIDINE-3-CARBOXAMIDE Basic Attributes
228.29
228.147400
614-912-7
DTXSID20562716
White to Almost white
29333990
Characteristics
72.6
0.5
1.123±0.06 g/cm3(Predicted)
174.0 to 178.0 °C
384.4±31.0 °C(Predicted)
186.3±24.8 °C
1.498
16.41±0.20(Predicted)
Keep in dark place,Inert atmosphere,Room temperature
Safety Information
37
22
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
1-N-BOC-PIPERIDINE-3-CARBOXAMIDE Use and Manufacturing
Triethylamine (0.96 mL, 6.89 mmol) and then ethyl chloroformate (0.69 mL, 7.23 mmol) were added dropwise at OStep 2. Tert-butyl 3-carbamoylpiperidine-1-carboxylate; A 1-L 3-necked round-bottomed flask was charged with a solution of 1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid (10 g, 42.79 mmol, 1.00 equiv, 98percent), TEA (5.2 g, 50.46 mmol, 1.18 equiv, 98percent) in THF (100 mL). To this mixture was added isobutyl carbonochloridate (6.8 g, 49.00 mmol, 1.15 equiv, 98percent) drop wise at 10° C. The resulting solution was stirred for 15 minutes at 10° C. in a water/ice bath. Then, to the mixture was added NHTo a solution of amine 15.1 (10.7 g, 83.6 mmol) in CHC1To a stirred solution of piperidine-3-carboxylic acid amide (1.28 g, 10 mmol) in methanol (50 ml) triethylamine (1.4 ml, 10 mmol) was added and the mixture was cooled to 0-5
Computed Properties
Molecular Weight:228.29
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:228.14739250
Monoisotopic Mass:228.14739250
Topological Polar Surface Area:72.6
Heavy Atom Count:16
Complexity:283
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-N-BOC-PIPERIDINE-3-CARBOXAMIDE
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