4-(3,4-Difluorophenoxy)benzaldehyde

Base Information

• Chemical Name: 4-(3,4-Difluorophenoxy)benzaldehyde
• CAS No.: 486449-90-5
• Molecular Formula: C13H8F2O2
• Molecular Weight: 234.202
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID00442128
• Wikidata: Q72463657
• Mol file: 486449-90-5.mol

Synonyms:4-(3,4-difluorophenoxy)benzaldehyde;486449-90-5;4'-(3,4-DIFLUOROPHENOXY)BENZALDEHYDE;4-(3,4-Difluoro-phenoxy)-benzaldehyde;SCHEMBL4853836;DTXSID00442128;XVYWAQAFWQZGBI-UHFFFAOYSA-N;AMY11085;MFCD09038283;AKOS005851957;AC-26714;A7344;CS-0217406;FT-0646256;EN300-7423433;Z431604310

Chemical Property of 4-(3,4-Difluorophenoxy)benzaldehyde

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 316.6°Cat760mmHg
• Flash Point: 140.6°C
• PSA: 26.30000
• Density: 1.3g/cm³
• LogP: 3.56960
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 234.04923582
• Heavy Atom Count: 17
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

4-(3,4-Difluorophenoxy)benzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)OC2=CC(=C(C=C2)F)F
• Use Description: 4'-(3,4-Difluorophenoxy)benzaldehyde, a chemical compound, finds applications in various fields. In the field of organic chemistry, it serves as a valuable intermediate or reagent in the synthesis of complex organic molecules, allowing chemists to create a wide range of compounds with specific chemical properties. In the pharmaceutical industry, this compound may be used in the development of drug candidates or as an intermediate in the production of pharmaceuticals, contributing to advancements in medication and healthcare. Additionally, in the field of materials science, it can play a role in the development of specialized polymers or materials with distinct properties, aiding in the creation of innovative materials for various applications. Its significance varies within these fields, but it consistently plays a crucial role in enhancing chemical processes, drug synthesis, and materials development across diverse scientific and industrial applications.

Technology Process of 4-(3,4-Difluorophenoxy)benzaldehyde

There total 2 articles about 4-(3,4-Difluorophenoxy)benzaldehyde 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: 98.0%

3,4-difluorophenol (2713-33-9) + 4-fluorobenzaldehyde (459-57-4) → 4-(3,4-difluorophenoxy)benzaldehyde (486449-90-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 6h; Heating / reflux;

Reference yield:

→ 4-(3,4-difluorophenoxy)benzaldehyde (486449-90-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; for 2h; Microwave irradiation;

Reference yield: 86.0%

6-fluoro-1H-spiro[furo[3,4-c]pyridine-3,4'-piperidine] hydrochloride (1017600-77-9) + 4-(3,4-difluorophenoxy)benzaldehyde (486449-90-5) → C24H21F3N2O2 (1192035-81-6)

Guidance literature:

With Zn(BH₃CN)2; triethylamine; In tetrahydrofuran; methanol; at 20 ℃; for 17h;

DOI:10.1016/j.bmcl.2009.07.132

upstream raw materials:

3,4-difluorophenol

4-fluorobenzaldehyde

Downstream raw materials:

SNAP 94847

C₂₄H₂₁F₃N₂O₂

Refernces

• 1、 -. "BICYCLIC PYRIMIDONE COMPOUNDS". Paragraph 0177; 0241; 0579. . Retrieved 2014/07/08.
• 2、 -. "2,3-DIHYDROIMIDAZO[1,2-C] PYRIMIDIN-5(1H)-ONE COMPOUNDS USE AS LP-PLA2 INHIBITORS". Page/Page column 72. . Retrieved 2013/03/26.