2-(3,5-Difluorophenyl)-2-oxoacetaldehyde

Base Information

• Chemical Name: 2-(3,5-Difluorophenyl)-2-oxoacetaldehyde
• CAS No.: 146535-00-4
• Molecular Formula: C₈H₄F₂O₂
• Molecular Weight: 170.115
• European Community (EC) Number: 817-536-3
• Mol file: 146535-00-4.mol

Synonyms:2-(3,5-difluorophenyl)-2-oxoacetaldehyde;146535-00-4;(3,5-difluorophenyl)(oxo)acetaldehyde;SCHEMBL2327686;HSUIFIUPBOLDGF-UHFFFAOYSA-N;AKOS020742016;EN300-1581831;Z1511770901

Chemical Property of 2-(3,5-Difluorophenyl)-2-oxoacetaldehyde

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.01793569
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C=C1F)F)C(=O)C=O

Technology Process of 2-(3,5-Difluorophenyl)-2-oxoacetaldehyde

There total 2 articles about 2-(3,5-Difluorophenyl)-2-oxoacetaldehyde 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: 84.0%

→ (3,5-difluorophenyl)(oxo)acetaldehyde (146535-00-4)

Guidance literature:

Reference yield: 31.7%

3′,5′-difluoroacetophenone (123577-99-1) → (3,5-difluorophenyl)(oxo)acetaldehyde (146535-00-4)

Guidance literature:

With selenium(IV) oxide; In tetrahydrofuran; for 48h; Heating / reflux;

Reference yield: 71.3%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + (3,5-difluorophenyl)(oxo)acetaldehyde (146535-00-4) → C9H6F2N2O2 (934291-89-1)

Guidance literature:

formaldehyd; (3,5-difluorophenyl)(oxo)acetaldehyde; With hydrogenchloride; hydroxylamine hydrochloride; In methanol; water; at 5 - 20 ℃; for 96h;

With sodium carbonate; In methanol; water; at 5 ℃; for 0.5h; pH=5;

upstream raw materials:

3′,5′-difluoroacetophenone

Downstream raw materials:

C₉H₆F₂N₂O₂