2-(benzyloxy)-4-fluorobenzaldehyde

Base Information

• Chemical Name: 2-(benzyloxy)-4-fluorobenzaldehyde
• CAS No.: 202857-89-4
• Molecular Formula: C14H11 F O2
• Molecular Weight: 230.239
• DSSTox Substance ID: DTXSID10443444
• Wikidata: Q82261270
• Mol file: 202857-89-4.mol

Synonyms:2-Benzyloxy-4-fluorobenzaldehyde

Chemical Property of 2-(benzyloxy)-4-fluorobenzaldehyde

Chemical Property:

• PSA: 26.30000
• LogP: 3.21720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 230.07430775
• Heavy Atom Count: 17
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

2-Benzyloxy-4-fluorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=C(C=CC(=C2)F)C=O
• Uses: 2-Benzyloxy-4-fluorobenzaldehyde is a reactant used in the synthesis of fluorinated hallucinogenic tryptamine derivatives.

Technology Process of 2-(benzyloxy)-4-fluorobenzaldehyde

There total 7 articles about 2-(benzyloxy)-4-fluorobenzaldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2-Benzyloxy-1-bromo-4-fluoro-benzene (202857-88-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-(benzyloxy)-4-fluorobenzaldehyde (202857-89-4)

Guidance literature:

With magnesium; In tetrahydrofuran; at 65 ℃; for 2h;

Reference yield: 97.0%

4-fluoro-2-hydroxybenzaldehyde (348-28-7) + benzyl bromide (100-39-0) → 2-(benzyloxy)-4-fluorobenzaldehyde (202857-89-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 4h;

Reference yield: 91.0%

4-fluoro-2-hydroxybenzaldehyde (348-28-7) + benzyl chloride (100-44-7) → 2-(benzyloxy)-4-fluorobenzaldehyde (202857-89-4)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 2.5h; Heating;

DOI:10.1021/jm000339w

upstream raw materials:

4-fluoro-2-hydroxybenzaldehyde

benzyl chloride

3-fluorophenol

benzyl bromide

Downstream raw materials:

N-{[2-(benzyloxy)-4-fluorophenyl]methyl}-1-methylpiperidin-4-amine