4-(Benzyloxy)benzaldehyde - CAS 4397-53-9

Name: 4-(Benzyloxy)benzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025507
Product Name:	4-(Benzyloxy)benzaldehyde
CAS:	4397-53-9
Synonyms:	4-phenylmethoxybenzaldehyde

Technical Data

IUPAC Name:	4-phenylmethoxybenzaldehyde
Description:	Ibuprofen Related Compound is a position isomer of the adenylyl cyclase activator 2-Benzyloxybenzaldehyde. It also has much less potent anticancer activity against HL-60 cells that its isomeric counterpart.
Molecular Weight:	212.24
Molecular Formula:	C14H12O2
Canonical SMILES:	C1=CC=C(C=C1)COC2=CC=C(C=C2)C=O
InChI:	InChI=1S/C14H12O2/c15-10-12-6-8-14(9-7-12)16-11-13-4-2-1-3-5-13/h1-10H,11H2
InChI Key:	ZVTWZSXLLMNMQC-UHFFFAOYSA-N
Boiling Point:	197-199 °C (11 mmHg)
Melting Point:	71-73 °C
Purity:	> 95 %
Appearance:	Light tan solid
MDL:	MFCD00003387
LogP:	3.07810

GHS Hazard Statement:	H302 (33.33%): 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

Publication Number	Title	Priority Date
WO-2021127301-A1	4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
US-10995066-B1	Method for preparing novel crystalline forms of 1-(4-benzyloxy-benzyl)-3-methyl-thiourea	20191126
US-2021155587-A1	Method For Preparing Novel Crystalline Forms Of 1-(4-Benzyloxy-Benzyl)-3-Methyl-Thiourea	20191126
WO-2021107478-A1	A method for preparing novel crystalline forms of 1-(4-benzyloxy-benzyl)-3-methyl-thiourea	20191126
WO-2021075482-A1	1,3-cyclohexanedione derivatives and 1,3-cyclopentanedione derivatives as buffering molecules in non-aqueous solutions	20191016

PMID	Publication Date	Title	Journal
22982124	20121001	Synthesis and antimicrobial evaluation of L-phenylalanine-derived C5-substituted rhodanine and chalcone derivatives containing thiobarbituric acid or 2-thioxo-4-thiazolidinone	European journal of medicinal chemistry
22622060	20120901	Novel polymer anchored Cr(III) Schiff base complexes: synthesis, characterization and antimicrobial properties	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22590225	20120501	4-[(4-Benzyl-oxybenzyl-idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one	Acta crystallographica. Section E, Structure reports online
21754713	20110601	(2E)-3-[3-(Benz-yloxy)phen-yl]-1-(2-hy-droxy-phen-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
21754763	20110601	(2E)-3-(3-Benzyl-oxyphen-yl)-1-(2-hydroxy-5-methyl-phen-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online

Complexity:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.083729621
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.083729621
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3