5-Methylpyridine-3-boronic Acid Pinacol Ester - CAS 1171891-42-1

Catalog:	BB003863
Product Name:	5-Methylpyridine-3-boronic Acid Pinacol Ester
CAS:	1171891-42-1
Synonyms:	3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Technical Data

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Computed Properties

IUPAC Name:	3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Description:	5-Methylpyridine-3-boronic Acid Pinacol Ester (CAS# 1171891-42-1) is a useful research chemical.
Molecular Weight:	219.09
Molecular Formula:	C12H18NO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C
InChI:	InChI=1S/C12H18BNO2/c1-9-6-10(8-14-7-9)13-15-11(2,3)12(4,5)16-13/h6-8H,1-5H3
InChI Key:	SYEVQHAWWSEMRN-UHFFFAOYSA-N
LogP:	1.68920

Publication Number	Title	Priority Date
KR-102178181-B1	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
KR-20200076655-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20200331
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
WO-2020130214-A1	Novel hydrazone derivative with aryl or heteroaryl group substituted at terminal amine group thereof and use thereof	20181219
KR-20200076808-A	Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof	20181219

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Related Functional Groups

Boronic Acids and Esters

[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[1245906-70-0]
Potassium (2-Chloro-5-pyrimidinyl)trifluoroborate
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[1257724-90-5]
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester
[2247367-07-1]
4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi(1,3,2-dioxaborolane)

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:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.1430590
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	219.1430590
Rotatable Bond Count:	1
Topological Polar Surface Area:	31.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0