3-(Methoxymethyl)phenylboronic Acid - CAS 142273-84-5

Catalog:	BB009338
Product Name:	3-(Methoxymethyl)phenylboronic Acid
CAS:	142273-84-5
Synonyms:	[3-(methoxymethyl)phenyl]boronic acid; [3-(methoxymethyl)phenyl]boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	[3-(methoxymethyl)phenyl]boronic acid
Description:	3-(Methoxymethyl)phenylboronic Acid (CAS# 142273-84-5) is a useful research chemical.
Molecular Weight:	165.98
Molecular Formula:	C8H11O3B
Canonical SMILES:	B(C1=CC(=CC=C1)COC)(O)O
InChI:	InChI=1S/C8H11BO3/c1-12-6-7-3-2-4-8(5-7)9(10)11/h2-5,10-11H,6H2,1H3
InChI Key:	XOSGESMDNPVZKS-UHFFFAOYSA-N
Boiling Point:	310.3 °C at 760 mmHg
Density:	1.13 g/cm³
MDL:	MFCD03412069
LogP:	-0.48720

Publication Number	Title	Priority Date
US-2021053917-A1	Novel thyromimetics	20190301
WO-2020180624-A1	Novel thyromimetics	20190301
US-2020234798-A1	Extrapolative prediction of enantioselectivity enabled by computer-driven workflow, new molecular representations and machine learning	20190117
WO-2020123395-A1	2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors	20181210
TW-202039487-A	2-oxoquinazoline derivatives as methionine adenosyltransferase 2a inhibitors	20181210

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Related Functional Groups

Boronic Acids and Esters

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1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[355836-10-1]
2-Methoxy-4-(trifluoromethoxy)phenylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester

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:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.0801244
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	166.0801244
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0