4-(Benzyloxy)-2-fluorophenylboronic Acid - CAS 166744-78-1

Catalog:	BB012310
Product Name:	4-(Benzyloxy)-2-fluorophenylboronic Acid
CAS:	166744-78-1
Synonyms:	(2-fluoro-4-phenylmethoxyphenyl)boronic acid; (2-fluoro-4-phenylmethoxyphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(2-fluoro-4-phenylmethoxyphenyl)boronic acid
Description:	4-(Benzyloxy)-2-fluorophenylboronic Acid (CAS# 166744-78-1) is a useful research chemical.
Molecular Weight:	246.04
Molecular Formula:	C13H12FO3B
Canonical SMILES:	B(C1=C(C=C(C=C1)OCC2=CC=CC=C2)F)(O)O
InChI:	InChI=1S/C13H12BFO3/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,16-17H,9H2
InChI Key:	PQWKGFALWCOVTC-UHFFFAOYSA-N
Boiling Point:	406.8 °C at 760 mmHg
Density:	1.26 g/cm³
MDL:	MFCD02093064
LogP:	1.08450

Publication Number	Title	Priority Date
US-2020164024-A1	Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (pcsk9) inhibitors for the treatment of metabolic disorders	20181127
WO-2020110009-A1	Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (pcsk9) inhibitors for the treatment of metabolic disorders	20181127
CN-113166114-A	Cyclic tetramer compounds as proprotein convertase subtilisin/KEXIN 9 type (PCSK9) inhibitors for the treatment of metabolic disorders	20181127
EP-3887365-A1	Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (pcsk9) inhibitors for the treatment of metabolic disorders	20181127
KR-20210096154-A	Cyclic tetrameric compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders	20181127

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Related Functional Groups

Boronic Acids and Esters

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2-(Methoxycarbonyl)-4-methylphenylboronic Acid
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[163105-90-6]
2-Methoxy-3-pyridylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid
[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
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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:	246
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.0863526
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	246.0863526
Rotatable Bond Count:	4
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0