2-Hydroxy-5,6-dihydro[1,1'-biphenyl]-3(4H)-one

Base Information

• Chemical Name: 2-Hydroxy-5,6-dihydro[1,1'-biphenyl]-3(4H)-one
• CAS No.: 70871-45-3
• Molecular Formula: C12H12O2
• Molecular Weight: 188.226
• Hs Code.: 2914400090
• DSSTox Substance ID: DTXSID00499591
• Nikkaji Number: J974.729J
• Wikidata: Q82350511
• Mol file: 70871-45-3.mol

Synonyms:70871-45-3;8-IODO-1-NAPHTHOICACID;DTXSID00499591;AKOS006332279;2-Hydroxy-5,6-dihydro[1,1'-biphenyl]-3(4H)-one

Chemical Property of 2-Hydroxy-5,6-dihydro[1,1'-biphenyl]-3(4H)-one

Chemical Property:

• Vapor Pressure: 3.42E-05mmHg at 25°C
• Refractive Index: 1.613
• Boiling Point: 340°C at 760 mmHg
• Flash Point: 144.7°C
• PSA: 37.30000
• Density: 1.226g/cm³
• LogP: 2.70870
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 188.083729621
• Heavy Atom Count: 14
• Complexity: 260

Purity/Quality:

2-HYDROXY-3-PHENYL-CYCLOHEX-2-ENONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=C(C(=O)C1)O)C2=CC=CC=C2

Technology Process of 2-Hydroxy-5,6-dihydro[1,1'-biphenyl]-3(4H)-one

There total 24 articles about 2-Hydroxy-5,6-dihydro[1,1'-biphenyl]-3(4H)-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: 84.0%

2-Ethoxy-3-phenyl-cyclohex-2-enone (89114-51-2) → 2-hydroxy-3-phenyl-2-cyclohexen-1-one (70871-45-3)

Guidance literature:

With boron tribromide; In dichloromethane; 1.) -78 deg C, 1 h, 2.) -12 deg C, 3 h;

DOI:10.1021/jo980221b

Reference yield: 66.0%

bromobenzene (108-86-1,52753-63-6) + 2-hydroxy-2-cyclohexen-1-one (10316-66-2) → 2-hydroxy-3-phenyl-2-cyclohexen-1-one (70871-45-3)

Guidance literature:

With water; N-ethyl-N,N-diisopropylamine; triphenylphosphine; palladium diacetate; In N,N-dimethyl-formamide; for 0.166667h; microwave irradiation, power 50 W;

DOI:10.1021/jo980221b

Reference yield: 62.0%

(RS)-2-phenylcyclohexanone (1444-65-1) → 2-hydroxy-3-phenyl-2-cyclohexen-1-one (70871-45-3)

Guidance literature:

With copper diacetate; iodine; In acetic acid; for 15h; Heating;

DOI:10.1055/s-1989-27397

upstream raw materials:

(RS)-2-phenylcyclohexanone

2-Isopropylamino-3-phenyl-cyclohex-2-enone

2-Hydroxy-3-phenylcyclohexanon

2-Benzolsulfonyloxy-2-cyclohexenon

Downstream raw materials:

(6-Oxo-2-phenyl-cyclohex-1-enyloxy)-acetic acid ethyl ester

3-phenylcatechol

2-methoxy-3-phenylcyclohex-2-en-1-one

2-Ethoxy-3-phenyl-cyclohex-2-enone