1-(3,4-Difluoro-2-hydroxyphenyl)ethanone

Base Information

• Chemical Name: 1-(3,4-Difluoro-2-hydroxyphenyl)ethanone
• CAS No.: 816450-98-3
• Molecular Formula: C8H6 F2 O2
• Molecular Weight: 172.131
• Hs Code.: 2914700090
• European Community (EC) Number: 642-817-0
• Mol file: 816450-98-3.mol

Synonyms:1-(3,4-difluoro-2-hydroxyphenyl)ethanone;816450-98-3;3',4'-Difluoro-2'-hydroxyacetophenone;1-(3,4-difluoro-2-hydroxyphenyl)ethan-1-one;1-(3,4-difluoro-2-hydroxy-phenyl)ethanone;SCHEMBL2315628;MFCD12545936;AKOS006343817;CS-0133074;F76847;Z1201626570

Chemical Property of 1-(3,4-Difluoro-2-hydroxyphenyl)ethanone

Chemical Property:

• PSA: 37.30000
• LogP: 1.87300
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.03358575
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

98%Min ^*data from raw suppliers

1-(3,4-Difluoro-2-hydroxyphenyl)ethanone 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(3,4-Difluoro-2-hydroxyphenyl)ethanone

There total 2 articles about 1-(3,4-Difluoro-2-hydroxyphenyl)ethanone 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: 97.0%

2,3-difluorophenyl acetate (851936-86-2) → 1-(3,4-difluoro-2-hydroxyphenyl)ethan-1-one (816450-98-3)

Guidance literature:

With aluminum (III) chloride; at 0 ℃; for 14h; Inert atmosphere; Reflux;

Reference yield:

2,3-difluorophenol (6418-38-8) → 1-(3,4-difluoro-2-hydroxyphenyl)ethan-1-one (816450-98-3)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / dichloromethane / 16 h / 0 - 20 °C

2: aluminum (III) chloride / 16 h / Reflux

With pyridine; aluminum (III) chloride; In dichloromethane;

Reference yield: 69.0%

1-(3,4-difluoro-2-hydroxyphenyl)ethan-1-one (816450-98-3) → 2-bromo-1-(3,4-difluoro-2-hydroxyphenyl)ethan-1-one

Guidance literature:

With copper(ll) bromide; In ethyl acetate; for 24h; Reflux;

upstream raw materials:

2,3-difluorophenyl acetate

2,3-difluorophenol

Downstream raw materials:

3-dimethylamino-1-(3,4-difluoro-2-hydroxyphenyl)propenone

6-acetyl-2,3-difluorophenyl butyrate