Phenoxyacetone

Base Information

• Chemical Name: Phenoxyacetone
• CAS No.: 621-87-4
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• Hs Code.: 29145000
• European Community (EC) Number: 210-712-5
• NSC Number: 1876
• UNII: ZKT38MGG38
• DSSTox Substance ID: DTXSID3060740
• Nikkaji Number: J1.674H
• Wikidata: Q63399121
• Mol file: 621-87-4.mol

Synonyms:phenoxyacetone

Chemical Property of Phenoxyacetone

Chemical Property:

• Appearance/Colour: Clear light yellow liquid
• Vapor Pressure: 0.0666mmHg at 25°C
• Refractive Index: n20/D 1.521(lit.)
• Boiling Point: 230.2 °C at 760 mmHg
• Flash Point: 85 °C
• PSA: 26.30000
• Density: 1.045 g/cm³
• LogP: 1.65440
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 126

Purity/Quality:

98% ^*data from raw suppliers

Phenoxy-2-propanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 23
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)COC1=CC=CC=C1
• Uses: Phenoxy-2-propanone is a general chemical reagent used in the preparation of α-arylthio ketones via DL-proline. Phenoxy-2-propanone was used in the preparation of 3-mercapto-5-methyl-1-phenoxy-methyl-4-phenyl-1,2,4-triazolinium hydroxide inner salt.

Technology Process of Phenoxyacetone

There total 43 articles about Phenoxyacetone 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: 99.9%

chloroacetone (78-95-5) + phenol (108-95-2,27073-41-2) → 3-phenoxy-2-propanone (621-87-4)

Guidance literature:

phenol; With potassium carbonate; In acetone; at 20 ℃; for 0.5h;

chloroacetone; With potassium iodide; In acetone; for 3h; Reflux;

Reference yield: 98.0%

5-phenoxymethyl-1,2,3-oxadiazole 3-oxide (1451053-96-5) → 3-phenoxy-2-propanone (621-87-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h; under 760.051 Torr;

DOI:10.3987/COM-12-S(N)127

Reference yield: 91.0%

2-(2-oxopropoxy)benzaldehyde (392315-11-6) → C10H10O3 (1013938-63-0) + 3-phenoxy-2-propanone (621-87-4)

Guidance literature:

[Rh((R)-DTBM-SEGPHOS)]BF₄; In dichloromethane; at 20 ℃; for 48h;

DOI:10.1021/ja7109025

upstream raw materials:

1-phenoxy-2-propyne

sodium phenoxide

chloroacetone

phenol

Downstream raw materials:

2-methyl-1-phenoxy-2-propanol

diethyl-(β-phenoxy-isopropyl)-amine

(1RS,2RS)-1-(4-hydroxy-phenyl)-2-((Ξ)-β-phenoxy-isopropylamino)-propan-1-ol

(+/-)-1-<4-Hydroxyphenyl>-2-<1-methyl-2-phenoxyaethylamino>-propan-1-ol

Refernces

• 1、 Bradsher,Tess. "-". . p. 2184. Retrieved 1939.
• 2、 Liu, He,Wang, Hualei,Wei, Dongzhi,Xie, Youyu,Xu, Feng,Xu, Xiangyang,Yang, Lin. "Engineering the large pocket of an (S)-selective transaminase for asymmetric synthesis of (S)-1-amino-1-phenylpropane". . p. 2461 - 2470. Retrieved 2021/04/22.
• 3、 Hong, Dachao,Kon, Yoshihiro,Shimoyama, Yoshihiro,Tamura, Satoru. "Selective aerobic oxidation of allyl phenyl ether to methyl ketone by palladium–polyoxometalate hybrid catalysts". . . Retrieved 2020/09/03.