1-Boc-3-azetidinone - CAS 398489-26-4

Catalog:	BB024158
Product Name:	1-Boc-3-azetidinone
CAS:	398489-26-4
Synonyms:	3-oxo-1-azetidinecarboxylic acid tert-butyl ester; tert-butyl 3-oxoazetidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	tert-butyl 3-oxoazetidine-1-carboxylate
Description:	Used for the preparation of antibacterial aminoglycoside analogs.
Molecular Weight:	171.19
Molecular Formula:	C8H13NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(=O)C1
InChI:	InChI=1S/C8H13NO3/c1-8(2,3)12-7(11)9-4-6(10)5-9/h4-5H2,1-3H3
InChI Key:	VMKIXWAFFVLJCK-UHFFFAOYSA-N
Boiling Point:	251.3 °C at 760 mmHg
Density:	1.174 g/cm³
MDL:	MFCD01861741
LogP:	0.74410

Publication Number	Title	Priority Date
WO-2021210650-A1	Aryl or heteroaryl derivative	20200416
WO-2021208918-A1	Tricyclic compounds as egfr inhibitors	20200414
WO-2021210857-A1	1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20200413
CN-113509557-A	Targeted protease degradation platform (TED)	20200409
WO-2021203007-A1	Substituted 5-hydroxyindole compounds as modulators of alpha-1 antitrypsin	20200403

PMID	Publication Date	Title	Journal
21732591	20110805	Highly functional group compatible Rh-catalyzed addition of arylboroxines to activated N-tert-butanesulfinyl ketimines	Organic letters

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Related Functional Groups

Carbonyl Compounds

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[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Other Building Blocks

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[6332-13-4]
4-Aminophenyl Ethyl Carbinol
[866594-61-8]
(3aS,4R,6aR)-Tetrahydro-4-methoxyfuro[3,4-b]furan-2(3H)-one
[868161-59-5]
(E,E)-5-[4-(Diethylamino)phenyl]penta-2,4-dienal
[1242933-88-5]
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[1330180-78-3]
4-Hydroxy-3-methyl-2-picolinic Acid 1-Oxide

GHS Hazard Statement:	H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.08954328
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.08954328
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8