1-Acetamido-3,5-difluorobenzene

Base Information

• Chemical Name: 1-Acetamido-3,5-difluorobenzene
• CAS No.: 404-01-3
• Molecular Formula: C8H7 F2 N O
• Molecular Weight: 171.146
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30378860
• Wikidata: Q82168444
• Mol file: 404-01-3.mol

Synonyms:404-01-3;N-(3,5-difluorophenyl)acetamide;1-Acetamido-3,5-difluorobenzene;3',5'-Difluoroacetanilide;Acetamide, N-(3,5-difluorophenyl)-;SCHEMBL7978815;DTXSID30378860;AMY28156;MFCD03094568;AKOS006228165;PS-8690;CS-0168194;A873350

Chemical Property of 1-Acetamido-3,5-difluorobenzene

Chemical Property:

• Vapor Pressure: 0.00548mmHg at 25°C
• Refractive Index: 1.531
• Boiling Point: 274.2°C at 760 mmHg
• Flash Point: 119.6°C
• PSA: 29.10000
• Density: 1.307g/cm³
• LogP: 1.99620
• Storage Temp.: Room temperature.
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.04957017
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

99%, ^*data from raw suppliers

3'',5''-Difluoroacetanilide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=CC(=C1)F)F

Technology Process of 1-Acetamido-3,5-difluorobenzene

There total 3 articles about 1-Acetamido-3,5-difluorobenzene 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: 100.0%

3,5-difluoroaniline (372-39-4) + acetic anhydride (108-24-7) → N-(3,5-difluorophenyl)acetamide (404-01-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 21.5h;

DOI:10.1002/anie.201511385

Reference yield:

3,5-difluoroaniline (372-39-4) + acetyl chloride (75-36-5) → N-(3,5-difluorophenyl)acetamide (404-01-3)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1055/s-0032-1316555

Reference yield:

→ N-(3,5-difluorophenyl)acetamide (404-01-3)

Guidance literature:

3,5-Difluor-anilin, Ac2O, Bzl., Δ;

upstream raw materials:

3,5-difluoroaniline

acetic anhydride

acetyl chloride

Downstream raw materials:

2-amino-4,6-difluoronitrobenzene

2,5-difluoro-4-nitroaniline

3,6-difluoro-2-nitroaniline

C₁₂H₁₃F₂NO

Refernces

• 1、 Ackermann, Lutz,Huang, Zhixing,Kuniyil, Rositha,Li, Yueheng,Ruan, Zhixiong,Xu, Zhongnan,Zhang, Chao. "Catalyst-free, direct electrochemical synthesis of annulated medium-sized lactams through C-C bond cleavage". supporting information. p. 1099 - 1104. Retrieved 2020/03/11.
• 2、 Wezeman, Tim,Zhong, Sabilla,Nieger, Martin,Br?se, Stefan. "Synthesis of Highly Functionalized 4-Aminoquinolines". supporting information. p. 3823 - 3827. Retrieved 2016/04/05.