| Identification | Back Directory | [Name]
2-(BENZYLOXY)-3-METHOXYBENZALDEHYDE | [CAS]
2011-06-5 | [Synonyms]
AKOS B004238
OTAVA-BB BB7018802006
2-BENZYLOXY-3-METHYLBENZALDEHYDE
3-Methoxy-2-(benzyloxy)benzaldehyde
2-(BENZYLOXY)-3-METHOXYBENZALDEHYDE
2-Benzyloxy-3-methoxybenzaldehyde,98%
3-methoxy-2-(phenylmethoxy)benzaldehyde
2-(BENZYLOXY)-3-METHOXYBENZENECARBALDEHYDE | [Molecular Formula]
C15H14O3 | [MDL Number]
MFCD00202674 | [MOL File]
2011-06-5.mol | [Molecular Weight]
242.27 |
| Chemical Properties | Back Directory | [Appearance]
Off-white to light yellow crystalline powder | [Melting point ]
44-46 °C(lit.)
| [Boiling point ]
190-195 °C(Press: 3 Torr) | [density ]
1.154±0.06 g/cm3(Predicted) | [form ]
solid | [InChI]
1S/C15H14O3/c1-17-14-9-5-8-13(10-16)15(14)18-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3 | [InChIKey]
KXBGOVZWCRLLOR-UHFFFAOYSA-N | [SMILES]
COc1cccc(C=O)c1OCc2ccccc2 | [CAS DataBase Reference]
2011-06-5 |
| Hazard Information | Back Directory | [Chemical Properties]
Off-white to light yellow crystalline powder | [Uses]
2-Benzyloxy-3-methoxybenzaldehyde (benzyl-o-vanillin) can be prepared from the reaction of o-vanillin with benzyl bromide in acetone (solvent) and K2CO3 (base) in the presence of tetra-n-butylammonium iodide (catalyst). The dihedral angle between the two benzene rings in 2-benzyloxy-3-methoxybenzaldehyde crystal is 23.33 (6)°. Crystal structure suggests that all O atoms are involved in intra and intermolecular C-HO interactions. It has been reported as key reagent for the synthesis of new anticancer drugs. It is an important pharmacophore in drug discovery. It exhibits anti-proliferative activity in HL60 leukemia cancer cells. | [General Description]
2-Benzyloxy-3-methoxybenzaldehyde (benzyl-o-vanillin) can be prepared from the reaction of o-vanillin with benzyl bromide in acetone (solvent) and K2CO3 (base) in the presence of tetra-n-butylammonium iodide (catalyst). The dihedral angle between the two benzene rings in 2-benzyloxy-3-methoxybenzaldehyde crystal is 23.33 (6)°. Crystal structure suggests that all O atoms are involved in intra and intermolecular C-HO interactions. It has been reported as key reagent for the synthesis of new anticancer drugs. It is an important pharmacophore in drug discovery. It exhibits anti-proliferative activity in HL60 leukemia cancer cells. |
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| Company Name: |
Energy Chemical
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| Tel: |
021-021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Sigma-Aldrich
|
| Tel: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
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