Ethyl 1-Boc-3-piperidinecarboxylate
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Ethyl 1-Boc-3-piperidinecarboxylate
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CAS No:
130250-54-3
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Formula:
C13H23NO4
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Chemical Name:
Ethyl 1-Boc-3-piperidinecarboxylate
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Synonyms:
1-(TERT-BUTOXYCARBONYL)-3-(ETHOXYCARBONYL)PIPERIDINE;ETHYL N-BOC-NIPECOTATE;BOC-DL-NIPC-OET;BOC-DL-PIC(3)-EOT;BOC-DL-PIC(3)-OET;N-T-BUTOXYCARBONYL-DL-NIPECOTIC ACID ETHYL ESTER;N-T-BUTOXYCARBONYL-DL-PIPERIDINECARBOXYLIC ACID ETHYL ESTER;1,3-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester;1-tert-butyl 3-ethyl piperidine-1,3-dicarboxylate;1-Boc-Piperidine-3-Carboxylic Acid Ethyl Eater;
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CAS No:
Ethyl 1-Boc-3-piperidinecarboxylate Basic Attributes
257.32602
257.162720
1308068-626-2
617244
DTXSID10326804
29333990
Characteristics
55.8
1.8
white crystalline power
1.077±0.06 g/cm3(Predicted)
31-35℃
95℃/0.5mm
149.7±25.9 °C
1.473
0.000254mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
22-36-43-52
26
Xn
P280-P305 + P351 + P338
H302-H317-H319
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Ethyl 1-Boc-3-piperidinecarboxylate Use and Manufacturing
Reactant for synthesis of:• ;GABAA receptor agonists1• ;Piperidine derivatives2• ;Selective TACE inhibitors3• ;HDL-elevating agents4• ;α-Sulfonyl hydroxamic acid derivatives5• ;chemicals in the Iboga-alkaloid family6
Computed Properties
Molecular Weight:257.33
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:257.16270821
Monoisotopic Mass:257.16270821
Topological Polar Surface Area:55.8
Heavy Atom Count:18
Complexity:309
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Ethyl 1-Boc-3-piperidinecarboxylate
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