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

Name: 2-Ethylpyridine-4-boronic Acid Pinacol Ester
Brand: BOC Sciences
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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

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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

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Related Functional Groups

Boronic Acids and Esters

[766549-26-2]C6H6ClO3B
2-Chloro-4-hydroxyphenylboronic Acid
[355836-10-1]C8H8F3O4B
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[470478-90-1]C21H33N2O4B
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[1171897-39-4]C16H25N2O4B
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester
[1967833-52-8]C11H16NO2B
4-(4-Piperidyl)phenylboronic Acid
[2247367-07-1]C20H40B2O4
4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi(1,3,2-dioxaborolane)

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

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

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