1-Boc-6-oxo-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester - CAS 1345469-26-2

Name: 1-Boc-6-oxo-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007956
Product Name:	1-Boc-6-oxo-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester
CAS:	1345469-26-2
Synonyms:	6-oxo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyridine-1-carboxylic acid tert-butyl ester; tert-butyl 6-oxo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyridine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl 6-oxo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyridine-1-carboxylate
Description:	1-Boc-6-oxo-1,2,3,6-tetrahydropyridine-4-boronic Acid Pinacol Ester (CAS# 1345469-26-2 ) is a useful research chemical.
Molecular Weight:	323.19
Molecular Formula:	C16H26NO5B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=O)N(CC2)C(=O)OC(C)(C)C
InChI:	InChI=1S/C16H26BNO5/c1-14(2,3)21-13(20)18-9-8-11(10-12(18)19)17-22-15(4,5)16(6,7)23-17/h10H,8-9H2,1-7H3
InChI Key:	GJEFRVPIVCXFQI-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C

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

Publication Number	Title	Priority Date
EP-3490983-A1	Dimethoxyphenyl substituted indole compounds as tlr7, tlr8 or tlr9 inhibitors	20160730
WO-2018026620-A1	Dimethoxyphenyl substituted indole compounds as tlr7, tlr8 or tlr9 inhibitors	20160730
AU-2017307208-B2	Dimethoxyphenyl substituted indole compounds as TLR7, TLR8 or TLR9 inhibitors	20160730
EP-3490983-B1	Dimethoxyphenyl substituted indole compounds as tlr7, tlr8 or tlr9 inhibitors	20160730
US-2021292300-A1	Dimethoxyphenyl substituted indole compounds as tlr7, tlr8 or tlr9 inhibitors	20160730

Complexity:	531
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	323.1904031
Formal Charge:	0
Heavy Atom Count:	23
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	323.1904031
Rotatable Bond Count:	3
Topological Polar Surface Area:	65.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0