3'-Acetamidoacetophenone

Base Information

• Chemical Name: 3'-Acetamidoacetophenone
• CAS No.: 7463-31-2
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.203
• Hs Code.: 29242990
• European Community (EC) Number: 616-120-7
• NSC Number: 404340
• DSSTox Substance ID: DTXSID30323577
• Nikkaji Number: J965.925K
• Wikidata: Q72433969
• Mol file: 7463-31-2.mol

Synonyms:3'-Acetamidoacetophenone;7463-31-2;N-(3-acetylphenyl)acetamide;3-Acetylacetanilide;M-acetylaminoacetophenone;3-Acetamidoacetophenone;3'-Acetylacetanilide;3-ACETAMIDO ACETOPHENONE;MFCD00032278;N-(3-acetyl-phenyl)-acetamide;NSC 404340;NSC404340;m-acetamidoacetophenone;3'-Acetamidoacetophenon;3/'-Acetamidoacetophenone;3\'-Acetamidoacetophenone;3'-Acetylaminoacetophenone;N-(3-acetylphenyl)ethanamide;SCHEMBL474709;1-(3-Acetylaminophenyl)ethanone;AMY4097;DTXSID30323577;STK359646;AKOS000120469;AC-7637;CS-W017368;NSC-404340;PS-5782;BP-12324;3'-Acetamidoacetophenone, >=98.0% (GC);FT-0614853;EN300-15562;L10033;A838180;AN-652/41025152;Z30816194

Chemical Property of 3'-Acetamidoacetophenone

Chemical Property:

• Appearance/Colour: cream to brown crystalline powder
• Vapor Pressure: 5.05E-06mmHg at 25°C
• Melting Point: 127-130 °C
• Refractive Index: 1.57
• Boiling Point: 381.5 °C at 760 mmHg
• PKA: 14.72±0.70(Predicted)
• Flash Point: 172.6 °C
• PSA: 46.17000
• Density: 1.15 g/cm³
• LogP: 1.92060
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Ethyl Acetate, Methanol
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

3-Acetylacetanilide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3'-Acetamidoacetophenone

There total 19 articles about 3'-Acetamidoacetophenone 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%

acetic anhydride (108-24-7) + 1-(3-aminophenyl)ethanone (99-03-6) → 3-Acetamidoacetophenone (7463-31-2)

Guidance literature:

In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1021/jm301793a

Reference yield: 91.0%

1-(3-aminophenyl)ethanone (99-03-6) + acetyl chloride (75-36-5) → 3-Acetamidoacetophenone (7463-31-2)

Guidance literature:

DOI:10.1016/j.ejmech.2014.02.021

Reference yield: 90.0%

Isopropenyl acetate (108-22-5) + 1-(3-aminophenyl)ethanone (99-03-6) → 3-Acetamidoacetophenone (7463-31-2)

Guidance literature:

In neat (no solvent); at 20 ℃; for 3h; Green chemistry;

DOI:10.1080/00397911.2014.898072

upstream raw materials:

acetic anhydride

1-(3-aminophenyl)ethanone

acetic acid

C₁₈H₁₇N₃O₃

Downstream raw materials:

N-(3-acetyl-2-nitrophenyl)acetamide

5-acetamido-2-nitroacetophenone

N-(5-acetyl-2-nitrophenyl)acetamide

2-(3-acetylaminophenyl)-2-oxoethyl ethyl trithiocarbonate

Refernces

• 1、 Jiang, Heyan,Hu, Zujie,Gan, Chuan,Sun, Bin,Kong, Shuzhen,Bian, Fengxia. "Visible-light induced one-pot hydrogenation and amidation of nitroaromatics with carboxylic acids over 2D MXene-derived Pt/N-TiO2/Ti3C2". . . Retrieved 2021/03/03.
• 2、 Artault, Maxime,Martin-Mingot, Agnès,Thibaudeau, Sébastien,Vitse, Kassandra. "Direct Superacid-Promoted Difluoroethylation of Aromatics". supporting information. . Retrieved 2021/12/22.