351066-28-9

Basic information

• Product Name: 3-(4-FLUORO-BENZYLOXY)-4-METHOXY-BENZALDEHYDE
• Synonyms: ASINEX-REAG BAS 13520216;ART-CHEM-BB B014189;CHEMBRDG-BB 3014189;AKOS B014189;3-(4-FLUORO-BENZYLOXY)-4-METHOXY-BENZALDEHYDE;TIMTEC-BB SBB009338;3-[(4-fluorobenzyl)oxy]-4-methoxybenzaldehyde(SALTDATA: FREE);3-[(4-fluorophenyl)methoxy]-4-methoxybenzaldehyde
• CAS NO: 351066-28-9
• Molecular Formula: C₁₅H₁₃FO₃
• Molecular Weight: 260.26
• Mol File: 351066-28-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 397.4°C at 760 mmHg
• Flash Point: 187.4°C
• Appearance: /
• Density: 1.216g/cm³
• Vapor Pressure: 1.59E-06mmHg at 25°C
• Refractive Index: 1.576
• CAS DataBase Reference: 3-(4-FLUORO-BENZYLOXY)-4-METHOXY-BENZALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(4-FLUORO-BENZYLOXY)-4-METHOXY-BENZALDEHYDE(351066-28-9)
• EPA Substance Registry System: 3-(4-FLUORO-BENZYLOXY)-4-METHOXY-BENZALDEHYDE(351066-28-9)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 351066-28-9(Hazardous Substances Data)

Usage

General Description

3-(4-fluoro-benzyloxy)-4-methoxy-benzaldehyde is a chemical compound with the molecular formula C14H13FO3. It is a benzaldehyde derivative with a 4-fluoro-benzyloxy group and a 4-methoxy group attached to the benzene ring. 3-(4-FLUORO-BENZYLOXY)-4-METHOXY-BENZALDEHYDE is commonly used in organic synthesis and pharmaceutical research as a building block for the synthesis of various bioactive compounds. Its unique structure and functional groups make it a valuable intermediate in the production of pharmaceuticals, agrochemicals, and other fine chemicals. Additionally, it has potential applications in the development of new drugs and pharmacological research due to its diverse chemical properties and functional groups.

InChI:InChI=1/C15H13FO3/c1-18-14-7-4-12(9-17)8-15(14)19-10-11-2-5-13(16)6-3-11/h2-9H,10H2,1H3

Upstream product

• 79-16-3 N-methyl-acetamide 
• 1257411-98-5 C₁₄H₁₁FO₃ 

Downstream Products

• 1257412-10-4 C₂₆H₂₀F₄N₂O₃ 
• 1257412-11-5 C₂₆H₁₇F₇N₂O₃ 
• 1257412-12-6 C₃₁H₂₂F₄N₂O₃ 
• 1257412-13-7 C₂₅H₁₇F₄N₃O₅ 
• 1257412-14-8 C₂₅H₁₇F₅N₂O₃ 
• 1257412-15-9 C₂₅H₁₇ClF₄N₂O₃ 
• 1257412-32-0 C₂₇H₂₂BrFN₂O₅ 
• 1257412-27-3 C₂₅H₂₀BrFN₂O₃ 
• 1257412-09-1 C₂₅H₁₈F₄N₂O₃ 

Relevant articles and documents

Quinazoline derivatives as selective CYP1B1 inhibitors

CYP1B1 is implicated to have a role in the development of breast, ovarian, renal, skin and lung carcinomas. It has been suggested that identification of potent and specific CYP1B1 inhibitors can lead to a novel treatment of cancer. Flavonoids have a compact rigid skeleton which fit precisely within the binding cavity of CYP1B1. Systematic isosteric replacement of flavonoid ‘O’ atom with ‘N’ atom led to the prediction that a ‘quinazoline’ scaffold could be the basis for designing potential CYP1B1 inhibitors. A total of 20 quinazoline analogs were synthesized and screened for CYP1B1 and CYP1A1 inhibition in Sacchrosomes. IC50 determinations of six compounds with capability of inhibiting CYP1B1 identified quinazolines 5c and 5h as the best candidates for CYP1B1 inhibition, with IC50 values in the nM range. Further selectivity studies with homologous CYPs, belonging to the CYP1, CYP2 and CYP3 family of enzymes, showed that the compounds are likely to be free from critical drug-drug interaction liability. Molecular modelling studies were performed to rationalize the observed enzymatic inhibitions. Further biological studies in live yeast and human cells, harboring CYP1A1 and CYP1B1 enzymes, have illustrated the most potent compounds' cellular permeability and capability of potently inhibiting CYP1B1 enzyme expressed within live cells.