2-Ethylpyridine-4-boronic Acid Pinacol Ester - CAS 741709-60-4

Catalog:	BB035004
Product Name:	2-Ethylpyridine-4-boronic Acid Pinacol Ester
CAS:	741709-60-4
Synonyms:	2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Description:	2-Ethylpyridine-4-boronic Acid Pinacol Ester (CAS# 741709-60-4) is a useful research chemical.
Molecular Weight:	233.11
Molecular Formula:	C13H20NO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)CC
InChI:	InChI=1S/C13H20BNO2/c1-6-11-9-10(7-8-15-11)14-16-12(2,3)13(4,5)17-14/h7-9H,6H2,1-5H3
InChI Key:	YYJPHWDHDLLAJH-UHFFFAOYSA-N
MDL:	MFCD09952046
LogP:	1.94320

Publication Number	Title	Priority Date
US-10392376-B2	Heterocyclic inhibitors of ATR kinase	20170713
US-2019016713-A1	Heterocyclic inhibitors of atr kinase	20170713
US-2020102296-A1	Heterocyclic inhibitors of atr kinase	20170713
US-10800769-B2	Heterocyclic inhibitors of ATR kinase	20170713
US-2021047311-A1	Heterocyclic inhibitors of atr kinase	20170713

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Related Functional Groups

Boronic Acids and Esters

[10365-98-7]
3-Methoxybenzeneboronic Acid
[364044-44-0]
4'-Chloro-4-biphenylboronic Acid
[1799644-51-1]
B-spiro[9H-fluorene-9,9'-[9H]xanthen]-2-ylboronic acid
[2244281-69-2]
B-spiro[9H-Fluorene-9,9'-[9H]xanthen]-4-ylboronic acid
[84110-40-7]
Isobutylboronic Acid
[192182-56-2]
Isoquinoline-4-boronic Acid

GHS Hazard Statement:	H302 (50%): 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:	265
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.1587090
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	233.1587090
Rotatable Bond Count:	2
Topological Polar Surface Area:	31.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0