1-(4-Phenylphenoxy)propan-2-one

Base Information

• Chemical Name: 1-(4-Phenylphenoxy)propan-2-one
• CAS No.: 18859-38-6
• Molecular Formula: C₁₅H₁₄O₂
• Molecular Weight: 226.275
• Hs Code.: 2914509090
• NSC Number: 211910
• DSSTox Substance ID: DTXSID00309409
• Nikkaji Number: J1.998.851A
• Wikidata: Q82057812
• Mol file: 18859-38-6.mol

Synonyms:18859-38-6;1-(4-phenylphenoxy)propan-2-one;1-(biphenyl-4-yloxy)acetone;1-([1,1'-Biphenyl]-4-yloxy)propan-2-one;AURORA 17222;MFCD02969026;NSC211910;1-(4-Biphenylyloxy)acetone;SCHEMBL7733929;DTXSID00309409;1-(4-Phenylphenoxy)-2-propanone;AKOS000273070;NSC 211910;NSC-211910;BS-35837;CS-0357553;1-([1,1'-Biphenyl]-4-yloxy)acetone, AldrichCPR

Chemical Property of 1-(4-Phenylphenoxy)propan-2-one

Chemical Property:

• Vapor Pressure: 1.22E-05mmHg at 25°C
• Refractive Index: 1.552
• Boiling Point: 369 °C at 760 mmHg
• Flash Point: 165.9 °C
• PSA: 26.30000
• Density: 1.083 g/cm³
• LogP: 3.32140
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 235

Purity/Quality:

99%min ^*data from raw suppliers

1-(Biphenyl-4-yloxy)acetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50
• Safety Statements: 61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2

Technology Process of 1-(4-Phenylphenoxy)propan-2-one

There total 4 articles about 1-(4-Phenylphenoxy)propan-2-one 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: 90.0%

4-Phenylphenol (92-69-3) + chloroacetone (78-95-5) → 1-(p-phenylphenoxy)propan-2-one (18859-38-6)

Guidance literature:

4-Phenylphenol; With sodium carbonate; potassium iodide; In acetone; Reflux;

chloroacetone; In acetone; Reflux;

Reference yield: 76.0%

diazoacetone (2684-62-0) + 4-Phenylphenol (92-69-3) → 1-(p-phenylphenoxy)propan-2-one (18859-38-6)

Guidance literature:

With dirhodium tetraacetate; In dichloromethane; at 20 ℃; for 12h; Further Variations:; Reagents; Kinetics;

DOI:10.1021/jo0350312

Reference yield: 64.0%

4-(2-Nitrosooxy-propoxy)-biphenyl → 1-(p-phenylphenoxy)propan-2-one (18859-38-6) + 1-(Biphenyl-4-yloxy)-propan-2-ol (5333-65-3)

Guidance literature:

In solid; for 89h; Irradiation;

DOI:10.1246/cl.1996.217

upstream raw materials:

4-Phenylphenol

chloroacetone

diazoacetone

methyloxirane

Downstream raw materials:

1-(Biphenyl-4-yloxy)-propan-2-ol

Refernces

• 1、 Hao, Hong-Yan,Mao, Yang-Jie,Xu, Zhen-Yuan,Lou, Shao-Jie,Xu, Dan-Qian. "Selective Cross-Dehydrogenative C(sp3)-H Arylation with Arenes". supporting information. p. 2396 - 2402. Retrieved 2020/03/13.
• 2、 Qu, Zhaohui,Shi, Weifeng,Wang, Jianbo. "Linear Free Energy Correlation Analysis on the Electronic Effects of Rh(II) Carbene O-H Insertion". . p. 217 - 219. Retrieved 2007/10/03.