1-Boc-3-piperidone - CAS 98977-36-7

Catalog:	BB042238
Product Name:	1-Boc-3-piperidone
CAS:	98977-36-7
Synonyms:	tert-butyl 3-oxopiperidine-1-carboxylate

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Computed Properties

IUPAC Name:	tert-butyl 3-oxopiperidine-1-carboxylate
Description:	1-Boc-3-piperidone (CAS# 98977-36-7) is an intermediate used in the practical biocatalytic process for (S)-N-Boc-3-hydroxypiperidine synthesis, which functions as a key pharmaceutical excipient.
Molecular Weight:	199.25
Molecular Formula:	C10H17NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC(=O)C1
InChI:	InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-7H2,1-3H3
InChI Key:	RIFXIGDBUBXKEI-UHFFFAOYSA-N
Boiling Point:	289.8 °C at 760 mmHg
Purity:	97.0 %
Density:	1.099 g/cm³
MDL:	MFCD01631193
LogP:	1.52430

Publication Number	Title	Priority Date
CN-113480471-A	Multi-chiral nitrogen-substituted piperidinol derivative and preparation method thereof	20210716
CN-113025588-A	Alcohol dehydrogenase KpADH mutant capable of catalyzing synthesis of piperidine compounds	20210330
CN-112280761-A	Recombinant transaminase, mutant of recombinant transaminase and application of mutant	20201116
CN-112251478-A	Ketoreductase and enzyme catalysis preparation method of S-1-BOC-3 hydroxypiperidine	20201026
CN-111978321-A	Preparation method of 4-Boc-2,5,6, 7-tetrahydropyrazolo [4,3-b ] pyridine and derivatives thereof	20200922

PMID	Publication Date	Title	Journal
22369147	20120322	3-aminopiperidine-based peptide analogues as the first selective noncovalent inhibitors of the bacterial cysteine protease IdeS	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Piperidones

[52763-21-0]
Ethyl 1-benzyl-3-oxo-4-piperidinecarboxylate hydrochloride
[1525448-33-2]
1-Boc-2,2-dimethyl-3-piperidinone
[32161-06-1]
N-Acetyl-4-piperidone
[174184-13-5]
1-Cbz-3-bromo-4-oxopiperidine
[324769-06-4]
N-Boc-3,3-dimethyl-4-piperidone
[396731-40-1]
N-Boc-3,5-dioxopiperidine

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.12084340
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.12084340
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1