N-(3,4-Difluorophenyl)acetamide

Base Information

• Chemical Name: N-(3,4-Difluorophenyl)acetamide
• CAS No.: 458-11-7
• Molecular Formula: C8H7F2NO
• Molecular Weight: 171.146
• Hs Code.: 2924299090
• European Community (EC) Number: 610-272-8
• NSC Number: 10347
• DSSTox Substance ID: DTXSID30278856
• Nikkaji Number: J355.001J
• Wikidata: Q82011023
• Mol file: 458-11-7.mol

Synonyms:N-(3,4-Difluorophenyl)acetamide;458-11-7;3',4'-Difluoroacetanilide;3,4-difluoroacetanilide;NSC10347;SCHEMBL863069;DTXSID30278856;N-(3,4-difluoro-phenyl)acetamide;N-(3,4-Difluoro-phenyl)-acetamide;MFCD00017903;NSC-10347;AKOS003867658;PS-8689;CS-0199429;FT-0614847

Chemical Property of N-(3,4-Difluorophenyl)acetamide

Chemical Property:

• Vapor Pressure: 0.00198mmHg at 25°C
• Melting Point: 127-127.5 °C
• Refractive Index: 1.531
• Boiling Point: 291.2 °C at 760 mmHg
• PKA: 13.32±0.70(Predicted)
• Flash Point: 129.9 °C
• PSA: 29.10000
• Density: 1.307 g/cm³
• LogP: 1.99620
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.04957017
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

3'',4''-Difluoroacetanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of N-(3,4-Difluorophenyl)acetamide

There total 15 articles about N-(3,4-Difluorophenyl)acetamide 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: 99.0%

acetic anhydride (108-24-7) + 3,4-difluoroaniline (3863-11-4) → 3,4-difluoroacetanilide (458-11-7)

Guidance literature:

In 1,4-dioxane; at 0 ℃; for 1h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c8tc05764h

Reference yield: 85.0%

acrylic acid n-butyl ester (141-32-2,9003-49-0) + N-(3,4-difluoro-2-(trimethylsilyl)phenyl)acetamide (1182601-99-5) → butyl (E)-3-(6-acetamido-2,3-difluorophenyl)acrylate (1182602-21-6) + 3,4-difluoroacetanilide (458-11-7)

Guidance literature:

With palladium diacetate; toluene-4-sulfonic acid; p-benzoquinone; In acetone; at 20 ℃; for 40h; regioselective reaction; Inert atmosphere;

DOI:10.1039/b905717j

Reference yield: 54.0%

N-cyclopropyl-3,4-difluoroaniine → N-(3,4-difluorophenyl)-3-hydroxypropionamide (1366297-24-6) + 3,4-difluoroacetanilide (458-11-7)

Guidance literature:

With air; for 40h; Irradiation; Neat (no solvent);

DOI:10.1080/00397911.2010.545166

upstream raw materials:

acetic anhydride

3,4-difluoroaniline

Acetanilid

acetyl chloride

Downstream raw materials:

3,4-difluoro-N-(3,4-difluorophenyl)benzenamine

N-(3,4-difluoro-2-nitrophenyl)acetamide

2-chloro-6,7-difluoro-3-quinoline-3-carbaldehyde

4,5-difluoro-2-nitroaniline

Refernces

• 1、 Chen, Yujie,Huang, Zhibin,Jiang, Yaqiqi,Shu, Sai,Yang, Shan,Shi, Da-Qing,Zhao, Yingsheng. "Direct para-Selective C-H Amination of Iodobenzenes: Highly Efficient Approach for the Synthesis of Diarylamines". . p. 8226 - 8235. Retrieved 2021/06/28.
• 2、 Liu, Lili,Shao, Liping,Li, Jing,Cui, Haifeng,Li, Bing,Zhou, Xuzheng,Lv, Pengyue,Zhang, Jiyu. "Synthesis, antibacterial activities, mode of action and acute toxicity studies of new oxazolidinone-fluoroquinolone hybrids". . . Retrieved 2019/05/01.