Ethyl N-Boc-4-methylpiperidine-4-carboxylate - CAS 189442-87-3

Catalog:	BB014624
Product Name:	Ethyl N-Boc-4-methylpiperidine-4-carboxylate
CAS:	189442-87-3
Synonyms:	1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate
Description:	Ethyl N-Boc-4-methylpiperidine-4-carboxylate (CAS# 189442-87-3) is a useful research chemical.
Molecular Weight:	271.35
Molecular Formula:	C14H25NO4
Canonical SMILES:	CCOC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)C
InChI:	InChI=1S/C14H25NO4/c1-6-18-11(16)14(5)7-9-15(10-8-14)12(17)19-13(2,3)4/h6-10H2,1-5H3
InChI Key:	ZQZVWDXMUCTNRI-UHFFFAOYSA-N
Boiling Point:	329.7 °C at 760 mmHg
Purity:	95+ %
Density:	1.0134 g/cm³
LogP:	2.52620

Publication Number	Title	Priority Date
WO-2020023393-A1	Kinase antagonists and methods for making and using them	20180723
CN-112174935-A	Novel heterocyclic derivatives useful as SHP2 inhibitors	20180509
CN-112409334-A	Novel heterocyclic derivatives useful as SHP2 inhibitors	20180509
EA-037208-B1	SUBSTITUTED PYRAZOLO [1,5-a] PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS	20170929
AU-2018239542-A1	Novel heterocyclic derivatives useful as SHP2 inhibitors	20170323

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Related Functional Groups

Piperidines

[13617-02-2]
3-Bromo-1-methylpiperidine Hydrobromide
[2091522-65-3]
tert-butyl 3-cyano-5-hydroxypiperidine-1-carboxylate
[758720-54-6]
1-(3-Nitropyridin-2-yl)piperidine-4-carboxylic acid
[313685-03-9]
Ethyl 1-[(4-chlorophenyl)sulfonyl]piperidine-4-carboxylate
[349625-89-4]
Ethyl 1-(methylsulfonyl)piperidine-3-carboxylate
[1185108-00-2]
Ethyl 1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate hydrochloride

GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	338
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	271.17835828
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	271.17835828
Rotatable Bond Count:	5
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2