3,4-Dibenzyloxybenzaldehyde - CAS 5447-02-9
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 |
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 |
Publication Number | Title | Priority Date |
CN-112011580-A | Method for preparing droxidopa and application | 20200828 |
CN-113307741-A | Method for preparing droxidopa | 20200226 |
CN-111233631-A | Method for preparing 3, 4-dihydroxy phenethyl alcohol | 20200121 |
WO-2020253870-A1 | 6-hydrazinoadenosine compound having a2a adenosine receptor agonist activity | 20190621 |
WO-2020253872-A1 | 2-benzylidene hydrazinoadenosine compounds having a2a adenosine receptor agnostic activity | 20190621 |
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 |
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