2-Oxo-1-phenylpropyl acetate

Base Information

• Chemical Name: 2-Oxo-1-phenylpropyl acetate
• CAS No.: 19275-80-0
• Molecular Formula: C11H12 O3
• Molecular Weight: 192.214
• NSC Number: 102858
• DSSTox Substance ID: DTXSID10295541
• Nikkaji Number: J284.110J
• Mol file: 19275-80-0.mol

Synonyms:19275-80-0;2-oxo-1-phenylpropyl acetate;NSC102858;NCIOpen2_001670;SCHEMBL10299137;1-acetoxy-1-phenyl-2-propanone;DTXSID10295541;NSC-102858

Chemical Property of 2-Oxo-1-phenylpropyl acetate

Chemical Property:

• Vapor Pressure: 0.00608mmHg at 25°C
• Boiling Point: 272.5°Cat760mmHg
• Flash Point: 115.5°C
• Density: 1.11g/cm³
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Oxo-1-phenylpropyl acetate

There total 25 articles about 2-Oxo-1-phenylpropyl acetate 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%

1-phenylprop-2-ynyl acetate (16169-88-3,84681-19-6,116119-86-9,116182-55-9) → 1-acetoxy-1-phenyl-acetone (19275-80-0)

Guidance literature:

With [(1,1′-biphenyl-2-yl)di-tert-butylphosphine]gold(I) trifluoromethanesulfonate; water; In [⁽²⁾H₆]acetone; at 20 ℃; for 3h; Reagent/catalyst;

DOI:10.1021/ol501663f

Reference yield: 82.0%

1-phenyl-3-(trimethylsilyl)prop-2-yn-1-yl acetate (866562-23-4) → 1-acetoxy-1-phenyl-acetone (19275-80-0)

Guidance literature:

With chloro(triphenylphosphine)gold(I); F₅Sb*AgF; water; In 1,4-dioxane; at 20 ℃; for 20h; regioselective reaction; Inert atmosphere;

DOI:10.1021/jo101995g

Reference yield: 79.0%

1-Phenyl-2-propyn-1-ol (4187-87-5) + acetic acid (64-19-7,77671-22-8) → 1-acetoxy-1-phenyl-acetone (19275-80-0)

Guidance literature:

With cis-[Ru(κ2-O2CMe)2(PPh3)2]; In toluene; at 120 ℃; for 16h; Inert atmosphere;

DOI:10.1016/j.jorganchem.2010.10.001

upstream raw materials:

1-bromo-1-phenyl-2-propanone

potassium acetate

1-Phenyl-2-propyn-1-ol

acetic acid

Downstream raw materials:

C₁₁H₁₃NO₃

1-phenyl-1,2-propandiol

1-phenyl-2-piperidin-1-yl-propan-1-one

(R)-1-hydroxy-1-phenyl-2-propanone

Refernces

• 1、 Laurent, Eliane,Tardivel, Robert,Thiebault, Hugues. "UN NOUVEAU MODE D'ACCES AUX Α-FLUOROCETONES: L'OXYDATION ANODIQUE DES ACETATES D'ENOL EN PRESENCE D'IONS FLUORURES". . p. 903 - 906. Retrieved 1983.
• 2、 Lu, Mei,Su, Yijin,Zhao, Pengyi,Ye, Xiaohan,Cai, Yi,Shi, Xiaodong,Masson, Eric,Li, Fengyao,Campbell, J. Larry,Chen, Hao. "Direct Evidence for the Origin of Bis-Gold Intermediates: Probing Gold Catalysis with Mass Spectrometry". . p. 2144 - 2150. Retrieved 2018.
• 3、 Cai, Mingzhong,Du, Yingying,Yao, Fang,Zhang, Rongli. "A heterogeneous gold(I)-catalyzed regioselective hydration of propargyl acetates toward α-acyloxy methyl ketones". . . Retrieved 2020/02/04.