3,4-Dibenzyloxybenzaldehyde - CAS 5447-02-9

Name: 3,4-Dibenzyloxybenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028688
Product Name:	3,4-Dibenzyloxybenzaldehyde
CAS:	5447-02-9
Synonyms:	Benzaldehyde, 3,4-bis(phenylmethoxy)-; NSC 16747; Protocatechualdehyde Dibenzyl Ether; 3,4-Di(benzyloxy)benzaldehyde; α,α'-Diphenylveratraldehyde; Benzaldehyde, 3,4-bis(benzyloxy)-; 3,4-Bis(benzyloxy)benzaldehyde

Technical Data

Related CAS:	1803176-86-4 (Deleted CAS)
IUPAC Name:	3,4-bis(phenylmethoxy)benzaldehyde
Description:	3,4-Dibenzyloxybenzaldehyde, an essential molecule in pharmaceutical synthesis, plays a pivotal role in the development of remedies targeting diverse ailments like cancer and cardiovascular maladies, offering a promising avenue for therapeutic advancement.
Molecular Weight:	318.37
Molecular Formula:	C21H18O3
Canonical SMILES:	C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=O)OCC3=CC=CC=C3
InChI:	InChI=1S/C21H18O3/c22-14-19-11-12-20(23-15-17-7-3-1-4-8-17)21(13-19)24-16-18-9-5-2-6-10-18/h1-14H,15-16H2
InChI Key:	XDDLXZHBWVFPRG-UHFFFAOYSA-N
Boiling Point:	492.4±35.0°C at 760 mmHg
Melting Point:	90-93°C
Purity:	≥95%
Density:	1.176±0.06 g/cm3
Solubility:	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance:	White to Pale Brown Solid
Storage:	Store at -20°C
MDL:	MFCD00004776
LogP:	4.65710

GHS Hazard Statement:	H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
Precautionary Statement:	P201, P202, P273, P281, P308+P313, P391, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
19459701	20090624	FerriBRIGHT: a rationally designed fluorescent probe for redox active metals	Journal of the American Chemical Society
11513825	20010830	Synthesis of 8-C-glucosylflavones	Carbohydrate research

Complexity:	358
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	318.125594432
Formal Charge:	0
Heavy Atom Count:	24
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	318.125594432
Rotatable Bond Count:	7
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3