N-Boc-3,5-dioxopiperidine - CAS 396731-40-1

Catalog:	BB024082
Product Name:	N-Boc-3,5-dioxopiperidine
CAS:	396731-40-1
Synonyms:	3,5-dioxo-1-piperidinecarboxylic acid tert-butyl ester; tert-butyl 3,5-dioxopiperidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3,5-dioxopiperidine-1-carboxylate
Description:	N-Boc-3,5-dioxopiperidine (CAS# 396731-40-1) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	213.23
Molecular Formula:	C10H15NO4
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(=O)CC(=O)C1
InChI:	InChI=1S/C10H15NO4/c1-10(2,3)15-9(14)11-5-7(12)4-8(13)6-11/h4-6H2,1-3H3
InChI Key:	KWNDKZADLGFSKE-UHFFFAOYSA-N
LogP:	0.70330

Publication Number	Title	Priority Date
WO-2021127356-A1	Substituted Bicyclic and Tricyclic Ureas and Amides, Analogues Thereof, and Methods Using Same	20191220
WO-2020239077-A1	Nitrogen-containing heterocyclic derivative regulator, preparation method therefor and application thereof	20190529
EP-3604309-A1	Heterocyclic compounds and their use in preventing or treating bacterial infections	20180730
WO-2020025587-A1	Heterocyclic compounds and their use in preventing or treating bacterial infections	20180730
US-2021277019-A1	Heterocyclic Compounds And Their Use in Preventing or Treating Bacterial Infections	20180730

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Related Functional Groups

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[1525448-33-2]
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[87922-74-5]
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[324769-06-4]
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[1509382-47-1]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	287
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.10010796
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.10010796
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7