4-Ethylpyridine-3-boronic Acid Pinacol Ester - CAS 2096330-85-5

Catalog:	BB016460
Product Name:	4-Ethylpyridine-3-boronic Acid Pinacol Ester
CAS:	2096330-85-5
Synonyms:	4-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 4-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Description:	4-Ethylpyridine-3-boronic Acid Pinacol Ester (CAS# 2096330-85-5 ) is a useful research chemical.
Molecular Weight:	233.11
Molecular Formula:	C13H20NO2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(C=CN=C2)CC
InChI:	InChI=1S/C13H20BNO2/c1-6-10-7-8-15-9-11(10)14-16-12(2,3)13(4,5)17-14/h7-9H,6H2,1-5H3
InChI Key:	UMTCATCTKZVZRN-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-2018244935-A1	Naphthyridines as inhibitors of HPK1	20170330
BR-112019019555-A2	compound of formula i, pharmaceutical composition, hpk1 inhibition method, method for improving an immune response, method for treating a disorder and use of the compound	20170330
CN-110678466-A	Naphthyridines as HPK1 inhibitors	20170330
CN-110709392-A	Isoquinoline as HPK1 inhibitors	20170330
JP-2020512974-A	Naphthyridine as an inhibitor of HPK1	20170330

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Related Functional Groups

Boronic Acids and Esters

[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[850623-36-8]
Potassium (4-Cyanophenyl)trifluoroborate
[1967833-52-8]
4-(4-Piperidyl)phenylboronic 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
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Ethylboronic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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