3-(Benzyloxy)-2,6-difluorobenzaldehyde

Base Information

• Chemical Name: 3-(Benzyloxy)-2,6-difluorobenzaldehyde
• CAS No.: 152434-87-2
• Molecular Formula: C₁₄H₁₀F₂O₂
• Molecular Weight: 248.229
• DSSTox Substance ID: DTXSID701268632
• Mol file: 152434-87-2.mol

Synonyms:3-(Benzyloxy)-2,6-difluorobenzaldehyde;152434-87-2;2,6-Difluoro-3-(phenylmethoxy)benzaldehyde;2,6-difluoro-3-phenylmethoxybenzaldehyde;SCHEMBL411745;DTXSID701268632;MFCD20527960;3-Benzyloxy-2,6-difluoro-benzaldehyde;AB93116;Benzaldehyde, 3-benzyloxy-2,6-difluoro-;3-(Benzyloxy)-2,6-difluorobenzaldehyde #;CS-0195178;E91988

Chemical Property of 3-(Benzyloxy)-2,6-difluorobenzaldehyde

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 248.06488588
• Heavy Atom Count: 18
• Complexity: 267

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=C(C(=C(C=C2)F)C=O)F

Technology Process of 3-(Benzyloxy)-2,6-difluorobenzaldehyde

There total 5 articles about 3-(Benzyloxy)-2,6-difluorobenzaldehyde 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: 74.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 1-(benzyloxy)-2,4-difluorobenzene (152434-86-1) → 3-(benzyloxy)-2,6-difluorobenzaldehyde (152434-87-2)

Guidance literature:

1-(benzyloxy)-2,4-difluorobenzene; With n-butyllithium; In tetrahydrofuran; hexane; for 0.333333h; Cooling with acetone-dry ice;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at 20 ℃; for 0.833333h; Cooling with acetone-dry ice;

Reference yield:

2,4-difluorophenol (367-27-1) → 3-(benzyloxy)-2,6-difluorobenzaldehyde (152434-87-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / K₂CO₃ / acetone / Heating

2: 1.) n-BuLi / 1.) THF, hexane, -75 deg C, 30 min, 2.) THF, hexane, a) -75 deg C, 15 min, b) from -75 deg C to RT, 30 min

With n-butyllithium; potassium carbonate; In acetone;

DOI:10.1021/jm00076a024

Reference yield:

benzyl chloride (100-44-7) → 3-(benzyloxy)-2,6-difluorobenzaldehyde (152434-87-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 90 percent / K₂CO₃ / acetone / Heating

2: 1.) n-BuLi / 1.) THF, hexane, -75 deg C, 30 min, 2.) THF, hexane, a) -75 deg C, 15 min, b) from -75 deg C to RT, 30 min

With n-butyllithium; potassium carbonate; In acetone;

DOI:10.1021/jm00076a024

upstream raw materials:

N,N-dimethyl-formamide

1-(benzyloxy)-2,4-difluorobenzene

2,4-difluorophenol

benzyl chloride