N-(Benzyloxycarbonyl)-1,2,3,4-tetrahydropyridine - CAS 68471-58-9

Catalog:	BB033557
Product Name:	N-(Benzyloxycarbonyl)-1,2,3,4-tetrahydropyridine
CAS:	68471-58-9
Synonyms:	benzyl 3,4-dihydro-2H-pyridine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	benzyl 3,4-dihydro-2H-pyridine-1-carboxylate
Description:	N-(Benzyloxycarbonyl)-1,2,3,4-tetrahydropyridine (CAS# 68471-58-9) is a compound useful in organic synthesis.
Molecular Weight:	217.26
Molecular Formula:	C13H15NO2
Canonical SMILES:	C1CC=CN(C1)C(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C13H15NO2/c15-13(14-9-5-2-6-10-14)16-11-12-7-3-1-4-8-12/h1,3-5,7-9H,2,6,10-11H2
InChI Key:	LLRZWESXFFNSKX-UHFFFAOYSA-N
Appearance:	Yellow oil
LogP:	2.87060

Publication Number	Title	Priority Date
JP-2021512079-A	GCN2 inhibitor and its use	20180129
TW-201643165-A	Heterocyclic compounds and their use for preventing or treating bacterial infections	20150507
CN-107580595-B	Heterocyclic compounds and their use in the prevention or treatment of bacterial infections	20150507
TW-201402569-A	Substituted tricyclic compound having EP1 receptor activity (1)	20120402
WO-2013149996-A9	Substituted tricyclic compounds with activity towards ep1 receptors	20120402

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Related Functional Groups

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[1006320-24-6]
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Pyridines

[1018141-88-2]
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[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[149463-07-0]
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[153259-31-5]
2-(Chloromethyl)-4-(3-methoxypropoxy)-3-methylpyridine Hydrochloride
[856848-33-4]
2-Amino-4,5-dibromopyridine
[1087659-19-5]
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P316, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.110278721
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.110278721
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4