Ethyl 1-methyl-3-piperidinecarboxylate - CAS 5166-67-6

Catalog:	BB027542
Product Name:	Ethyl 1-methyl-3-piperidinecarboxylate
CAS:	5166-67-6
Synonyms:	ethyl 1-methylpiperidine-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 1-methylpiperidine-3-carboxylate
Description:	Ethyl 1-methyl-3-piperidinecarboxylate (CAS# 5166-67-6) is a useful research chemical.
Molecular Weight:	171.24
Molecular Formula:	C9H17NO2
Canonical SMILES:	CCOC(=O)C1CCCN(C1)C
InChI:	InChI=1S/C9H17NO2/c1-3-12-9(11)8-5-4-6-10(2)7-8/h8H,3-7H2,1-2H3
InChI Key:	VFJJNMLPRDRTCO-UHFFFAOYSA-N
Boiling Point:	86-88 °C (10 mmHg)
Purity:	97 %
Density:	0.954 g/cm³
Appearance:	Colorless to brown liquid
LogP:	0.82920

Publication Number	Title	Priority Date
JP-2021155568-A	Method for producing methylene malonate-based polymer	20200327
WO-2021150844-A1	Compositions containing 1,1-disubstituted activated alkenes useful in additive manufacturing and articles formed therefrom	20200124
WO-2021072140-A1	Prodrugs of myeloperoxidase inhibitors	20191010
EP-3202758-A1	Reductive alkylation of amines with orthocarboxylic acid esters	20160203
EP-3411353-B1	Reductive alkylation of amines with orthocarboxylic acid esters	20160203

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Related Functional Groups

Piperidines

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(3S,4R)-1-tert-Butyl 3-methyl 4-aminopiperidine-1,3-dicarboxylate
[821768-09-6]
1-(3-(Trifluoromethyl)pyridin-2-yl)piperidine-4-carboxylic acid
[874800-64-3]
1-(4-Chloro-2-nitrophenyl)piperidine-4-carboxylic acid
[2091522-65-3]
tert-butyl 3-cyano-5-hydroxypiperidine-1-carboxylate
[2091301-46-9]
Tert-butyl 5-hydroxy-3,3-dimethylpiperidine-1-carboxylate
[681428-42-2]
Ethyl 1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.125928785
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.125928785
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1