2-Phenoxyphenol

Base Information

• Chemical Name: 2-Phenoxyphenol
• CAS No.: 2417-10-9
• Molecular Formula: C12H10 O2
• Molecular Weight: 186.21
• Hs Code.: 2909500000
• UNII: KVI8N9886N
• DSSTox Substance ID: DTXSID00178879
• Nikkaji Number: J99.508H
• Wikidata: Q27119795
• Metabolomics Workbench ID: 56211
• ChEMBL ID: CHEMBL148515
• Mol file: 2417-10-9.mol

Synonyms:2-Phenoxyphenol;2417-10-9;o-Phenoxyphenol;Phenol, 2-phenoxy-;2-Phenoxy-phenol;2-Hydroxydiphenyl ether;phenoxyphenol;Phenol, phenoxy-;Phenol, o-phenoxy-;KVI8N9886N;CHEBI:39261;Phenol,2-phenoxy-;2-phenoxybenzenol;2-phenoxylphenol;2-Phenoxyphenol #;PHENOXYPHENOL, O-;Bionet2_001265;UNII-KVI8N9886N;SCHEMBL260447;CHEMBL148515;PT51;BDBM36537;DTXSID00178879;HMS1367J11;CAA41710;2-HYDROXYPHENYL PHENYL ETHER;MFCD00093034;AKOS005084057;CS-W019370;54774-79-7;AM20030427;FT-0648308;P-2980;EN300-1868882;1W-0639;A918766;A1-05146;Q27119795

Chemical Property of 2-Phenoxyphenol

Chemical Property:

• Vapor Pressure: 0.00299mmHg at 25°C
• Melting Point: 134 °C
• Refractive Index: 1.6010 (estimate)
• Boiling Point: 275.7°Cat760mmHg
• PKA: 9.13±0.30(Predicted)
• Flash Point: 114.6°C
• PSA: 29.46000
• Density: 1.175g/cm³
• LogP: 3.18450
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 0.11g/L(20 oC)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 186.068079557
• Heavy Atom Count: 14
• Complexity: 164

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2O

Technology Process of 2-Phenoxyphenol

There total 63 articles about 2-Phenoxyphenol 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%

1-(benzyloxy)-2-phenoxybenzene → o-Phenoxyphenol (2417-10-9)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In ethyl acetate; at 23 ℃; for 2h; under 2280.15 Torr;

DOI:10.1016/j.bmc.2019.02.039

Reference yield: 99.0%

potassium trifluoro(2-phenoxyphenyl)borate → o-Phenoxyphenol (2417-10-9)

Guidance literature:

With Oxone; In water; acetone; at 20 ℃; for 0.0833333h;

DOI:10.1021/acs.orglett.7b03307

Reference yield: 85.0%

2,4-di-t-butyl-6-phenoxyphenol (91378-07-3) → o-Phenoxyphenol (2417-10-9)

Guidance literature:

With aluminium trichloride; In toluene; at 80 ℃; for 0.5h;

DOI:10.1246/bcsj.57.416

upstream raw materials:

ethylmagnesium iodide

o-xylene

2-methoxyphenyl phenyl ether

1-ethoxy-2-phenoxy-benzene

Downstream raw materials:

4-Amino-2-phenoxy-phenol

2-methoxyphenyl phenyl ether

1-allyloxy-2-phenoxy-benzene

1-acetoxy-2-phenoxy-benzene

Refernces

• 1、 Cadogan et al.. "-". . p. 900. Retrieved 1974.
• 2、 -. "Method for promoting iron-catalyzed oxidation of aromatic compound carbon - hydrogen bond to synthesize phenol by ligand". Paragraph 0086-0087; 0128. . Retrieved 2021/09/21.
• 3、 Chao, María N.,Lorenzo-Ocampo, María V.,Szajnman, Sergio H.,Docampo, Roberto,Rodriguez, Juan B.. "Further insights of selenium-containing analogues of WC-9 against Trypanosoma cruzi". . p. 1350 - 1361. Retrieved 2019/02/25.