Methyl 1-Boc-5-oxopiperidine-3-carboxylate - CAS 1303974-96-0

Catalog:	BB007105
Product Name:	Methyl 1-Boc-5-oxopiperidine-3-carboxylate
CAS:	1303974-96-0
Synonyms:	5-oxopiperidine-1,3-dicarboxylic acid O1-tert-butyl ester O3-methyl ester; 1-O-tert-butyl 3-O-methyl 5-oxopiperidine-1,3-dicarboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-O-tert-butyl 3-O-methyl 5-oxopiperidine-1,3-dicarboxylate
Description:	Methyl 1-Boc-5-oxopiperidine-3-carboxylate (CAS# 1303974-96-0) is a useful research chemical.
Molecular Weight:	257.28
Molecular Formula:	C12H19NO5
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(CC(=O)C1)C(=O)OC
InChI:	InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-6-8(10(15)17-4)5-9(14)7-13/h8H,5-7H2,1-4H3
InChI Key:	JLMQIJJJKPJVCE-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-112409331-A	Heterocyclic derivative inhibitor, preparation method and application thereof	20190821
CA-3037218-A1	Dihydropyrimidine compound and preparation method and use thereof	20161118
EP-3508483-A1	Dihydropyrimidine compound and preparation method and use thereof	20161118
JP-2019535644-A	Dihydropyrimidine compounds and their preparation and use	20161118
US-10696669-B2	Dihydropyrimidine compound and preparation method and use thereof	20161118

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Related Functional Groups

Carbonyl Compounds

[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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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:	358
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.12632271
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	257.12632271
Rotatable Bond Count:	4
Topological Polar Surface Area:	72.9 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5