3,5-Difluoro-4-methoxybenzaldehyde

Base Information

• Chemical Name: 3,5-Difluoro-4-methoxybenzaldehyde
• CAS No.: 654-11-5
• Molecular Formula: C8H6 F2 O2
• Molecular Weight: 172.131
• Hs Code.: 2913000090
• European Community (EC) Number: 642-690-1
• DSSTox Substance ID: DTXSID70560444
• Wikidata: Q72463165
• Mol file: 654-11-5.mol

Synonyms:3,5-Difluoro-4-methoxybenzaldehyde;654-11-5;3,5-difluoro-4-methoxy-benzaldehyde;MFCD04115911;Benzaldehyde, 3,5-difluoro-4-methoxy-;Propanoic acid, 2-hydrazinyl;3,5-DIFLUORO-4-;SCHEMBL2306018;DTXSID70560444;KBSLGHDKSCGXKQ-UHFFFAOYSA-N;4-methoxy-3,5-difluorobenzaldehyde;AC1720;AKOS006346196;BP-13111;PS-11675;SY029666;3 pound not5-Difluoro-4-methoxybenzaldehyde;CS-0197354;3,5-Difluoro-4-methoxybenzaldehyde, AldrichCPR;A835104

Chemical Property of 3,5-Difluoro-4-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.027mmHg at 25°C
• Melting Point: 38-40 °C
• Refractive Index: 1.506
• Boiling Point: 246.642 °C at 760 mmHg
• Flash Point: 100.025 °C
• PSA: 26.30000
• Density: 1.289 g/cm³
• LogP: 1.78590
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 172.03358575
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

3,5-Difluoro-4-methoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1F)C=O)F

Technology Process of 3,5-Difluoro-4-methoxybenzaldehyde

There total 6 articles about 3,5-Difluoro-4-methoxybenzaldehyde 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: 95.0%

raney catalyst powder + 3,5-difluoro-4-methoxybenzonitrile (104197-15-1) → 3,5-Difluoro-4-methoxybenzaldehyde (654-11-5)

Guidance literature:

In formic acid;

Reference yield: 82.0%

4-methoxy-benzaldehyde (123-11-5) → 3-fluoro-p-anisaldehyde (351-54-2) + 3,5-Difluoro-4-methoxybenzaldehyde (654-11-5)

Guidance literature:

With fluorine; In acetonitrile; at 0 - 10 ℃;

DOI:10.1016/j.jfluchem.2006.09.010

Reference yield: 73.0%

3,5-difluoro-4-hydroxybenzaldehyde (118276-06-5) + methyl iodide (74-88-4) → 3,5-Difluoro-4-methoxybenzaldehyde (654-11-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/S0022-1139(03)00117-9

upstream raw materials:

3,5-difluoro-4-hydroxybenzaldehyde

methyl iodide

4-methoxy-benzaldehyde

2,6-difluorophenol

Downstream raw materials:

(3,5-difluoro-4-methoxy-phenyl)-methanol

1-(4'-methoxy-3',5'-difluorobenzyl)-1,3-dihydro-2H-imidazole-2-thione

(Z)-3-(3,5-difluoro-4-methoxyphenyl)-2-ethoxy-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

(Z)-3-(3,5-difluoro-4-methoxyphenyl)-2-propoxy-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one