4-Benzyloxy-3-methylphenylboronic Acid - CAS 338454-30-1

Catalog:	BB021862
Product Name:	4-Benzyloxy-3-methylphenylboronic Acid
CAS:	338454-30-1
Synonyms:	(3-methyl-4-phenylmethoxyphenyl)boronic acid; (3-methyl-4-phenylmethoxyphenyl)boronic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(3-methyl-4-phenylmethoxyphenyl)boronic acid
Description:	4-Benzyloxy-3-methylphenylboronic Acid (CAS# 338454-30-1) is a useful research chemical.
Molecular Weight:	242.08
Molecular Formula:	C14H15O3B
Canonical SMILES:	B(C1=CC(=C(C=C1)OCC2=CC=CC=C2)C)(O)O
InChI:	InChI=1S/C14H15BO3/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3
InChI Key:	QPXFEWQLALNXEZ-UHFFFAOYSA-N
Boiling Point:	431.597 °C at 760 mmHg
Density:	1.178 g/cm³
MDL:	MFCD06409944
LogP:	1.25380

Publication Number	Title	Priority Date
AU-2016314973-A1	Fused heterocyclic compounds as S1P modulators	20150828
CA-2996741-A1	Fused heterocyclic compounds as s1p modulators	20150828
CN-108368107-A	Condensed heterocyclic compouds as S1P conditioning agents	20150828
EP-3341369-A1	Fused heterocyclic compounds as s1p modulators	20150828
JP-2018525429-A	Fused heterocyclic compounds as S1P regulators	20150828

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Related Functional Groups

Boronic Acids and Esters

[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
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[850623-36-8]
Potassium (4-Cyanophenyl)trifluoroborate
[1171897-39-4]
5-(Boc-amino)pyridine-3-boronic Acid Pinacol Ester

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.1114245
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	242.1114245
Rotatable Bond Count:	4
Topological Polar Surface Area:	49.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0