N-(3-Fluorophenyl)acetamide

Base Information

• Chemical Name: N-(3-Fluorophenyl)acetamide
• CAS No.: 351-28-0
• Molecular Formula: C8H8FNO
• Molecular Weight: 153.156
• Hs Code.: 29242990
• European Community (EC) Number: 206-509-6
• NSC Number: 10348
• UNII: NF7XTQ6SQD
• DSSTox Substance ID: DTXSID00188594
• Nikkaji Number: J193.820G
• Wikidata: Q72478997
• Mol file: 351-28-0.mol

Synonyms:3'-Fluoroacetanilide;351-28-0;N-(3-FLUOROPHENYL)ACETAMIDE;3-Fluoroacetanilide;m-Fluoroacetanilide;MFCD00017917;Acetamide, N-(3-fluorophenyl)-;NF7XTQ6SQD;Acetanilide, 3'-fluoro-;EINECS 206-509-6;3-Acetamido-1-fluorobenzene;NSC-10348;1-fluoro-3-acetamidobenzene;NSC10348;UNII-NF7XTQ6SQD;3'-Fluoroacetanilide, 98%;n-(3-fluorophenyl) acetamide;SCHEMBL687148;N-(3-Fluorophenyl)acetamide #;N-methylcarbonyl 3-fluoroaniline;DTXSID00188594;NSC 10348;AKOS002960249;AB11466;CS-W017741;PS-8901;SB76040;SY040632;F0302;FT-0615709;3 inverted exclamation mark -Fluoroacetanilide;EN300-98408;W-202441;Z28143124

Chemical Property of N-(3-Fluorophenyl)acetamide

Chemical Property:

• Appearance/Colour: off-white crystalline powder
• Vapor Pressure: 0.00174mmHg at 25°C
• Melting Point: 82-84 °C(lit.)
• Refractive Index: 1.552
• Boiling Point: 293.334 °C at 760 mmHg
• PKA: 14.34±0.70(Predicted)
• Flash Point: 131.204 °C
• PSA: 29.10000
• Density: 1.209 g/cm³
• LogP: 1.85710
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: methanol: soluble25mg/mL, clear, colorless to yellow
• Water Solubility.: insoluble
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.058992041
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

3''-Fluoroacetanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=CC=C1)F
• Uses: 3''-Fluoroacetanilide is a reactant in the preparation of trifluoromethylaryl acetamides via Pd-catalyzed trifluoromethylation of aromatics C-H bond with Umemoto''s reagent directed by acetamino group.

Technology Process of N-(3-Fluorophenyl)acetamide

There total 24 articles about N-(3-Fluorophenyl)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: 100.0%

meta-fluoroaniline (372-19-0) + acetic anhydride (108-24-7) → N-(3-fluorophenyl)acetamide (351-28-0)

Guidance literature:

With acetic acid; at 105 ℃; for 3h;

Reference yield: 100.0%

3-fluorophenylazide (3296-03-5) + tiolacetic acid (507-09-5) → N-(3-fluorophenyl)acetamide (351-28-0)

Guidance literature:

With 2,6-dimethylpyridine; In water; acetonitrile; at 80 ℃; Microwave irradiation;

DOI:10.1055/s-0031-1291013

Reference yield: 99.0%

meta-fluoroaniline (372-19-0) + acetonitrile (75-05-8,26809-02-9) → N-(3-fluorophenyl)acetamide (351-28-0)

Guidance literature:

With aluminum oxide; at 200 ℃; for 0.45h; under 37503.8 Torr; Sonication; Green chemistry;

DOI:10.3390/molecules25081985

upstream raw materials:

meta-fluoroaniline

acetic anhydride

C₁₄H₁₁F₂N₃O

3-fluoro-1-nitrobenzene

Downstream raw materials:

3-fluoro-N-phenyl-aniline

N-<3-Fluor-phenyl>-N-nitroso-acetamid

2-amino-4-fluorobenzenesulphonic acid

N-(2-chloro-5-fluorophenyl)acetamide

Refernces

• 1、 Bényei, Attila,Domján, Attila,Egyed, Orsolya,Gonda, Zsombor,Novák, Zoltán,Sályi, Gerg?,Tóth, Balázs L.. "Z-Selective Fluoroalkenylation of (Hetero)Aromatic Systems by Iodonium Reagents in Palladium-Catalyzed Directed C?H Activation". supporting information. . Retrieved 2021/11/09.
• 2、 Bao, Zhi-Peng,Miao, Ren-Guan,Qi, Xinxin,Wu, Xiao-Feng. "A novel construction of acetamides from rhodium-catalyzed aminocarbonylation of DMC with nitro compounds". supporting information. p. 1955 - 1958. Retrieved 2021/03/02.