2-Methoxy-3-pyridylboronic Acid - CAS 163105-90-6

Catalog:	BB011943
Product Name:	2-Methoxy-3-pyridylboronic Acid
CAS:	163105-90-6
Synonyms:	(2-methoxy-3-pyridinyl)boronic acid; (2-methoxypyridin-3-yl)boronic acid

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	(2-methoxypyridin-3-yl)boronic acid
Description:	2-Methoxy-3-pyridylboronic Acid (CAS# 163105-90-6) is a useful research chemical.
Molecular Weight:	152.94
Molecular Formula:	C6H8NO3B
Canonical SMILES:	B(C1=C(N=CC=C1)OC)(O)O
InChI:	InChI=1S/C6H8BNO3/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4,9-10H,1H3
InChI Key:	NVOLYUXUHWBCRJ-UHFFFAOYSA-N
Boiling Point:	326.4 °C at 760 mmHg
Melting Point:	140-144 °C
Flash Point:	Not applicable
Purity:	≥ 95.0 %
Density:	1.24 g/cm³
Storage:	2-8 °C
MDL:	MFCD03411572
LogP:	-1.23000

Publication Number	Title	Priority Date
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
JP-2021138690-A	Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof	20200228
WO-2021130732-A1	Antibacterial quinolines	20191227
WO-2021076945-A1	Tropolone derivatives and tautomers thereof for iron regulation in animals	20191016
WO-2021067827-A1	Mcl1 inhibitors and uses thereof	20191003

PMID	Publication Date	Title	Journal
17148917	20061201	(2-Methoxy-3-pyridyl)boronic acid	Acta crystallographica. Section C, Crystal structure communications
15624958	20050107	Palladium-catalyzed cross-coupling reactions of pyridylboronic acids with heteroaryl halides bearing a primary amine group: synthesis of highly substituted bipyridines and pyrazinopyridines	The Journal of organic chemistry
15007413	20040321	5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions	Organic & biomolecular chemistry

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Related Functional Groups

Boronic Acids and Esters

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2-Ethoxycarbonylphenylboronic Acid
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GHS Hazard Statement:	H302 (14.29%): 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:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.0597233
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	153.0597233
Rotatable Bond Count:	2
Topological Polar Surface Area:	62.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0