3-([1,1'-Biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

Base Information

• Chemical Name: 3-([1,1'-Biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
• CAS No.: 56181-66-9
• Molecular Formula: C22H20O
• Molecular Weight: 300.4
• Hs Code.: 2907199090
• European Community (EC) Number: 260-034-9
• DSSTox Substance ID: DTXSID40971568
• Nikkaji Number: J296.598D
• Mol file: 56181-66-9.mol

Synonyms:56181-66-9;3-([1,1'-Biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol;3-[1,1'-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthol;3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol;EINECS 260-034-9;3-(1,1'-Biphenyl)-4-yl-1,2,3,4-tetrahydro-1-naphthol;1-Naphthalenol, 3-[1,1'-biphenyl]-4-yl-1,2,3,4-tetrahydro-;3-{[1,1'-biphenyl]-4-yl}-1,2,3,4-tetrahydronaphthalen-1-ol;C22H20O;3-(4-phenylphenyl)tetralin-1-ol;3-(4-Biphenyl-4-yl)-1,2,3,4-tetrahydronaphthanol;SCHEMBL8418900;DTXSID40971568;AMY40768;AKOS005075737;10N-059;A830945;3-(1,1'-Biphenyl-4-yl)-1,2,3,4-tetrahydro-1-naphthalenol

Chemical Property of 3-([1,1'-Biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

Chemical Property:

• Appearance/Colour: Cream To Pale Solid Powder
• Vapor Pressure: 7.6E-10mmHg at 25°C
• Refractive Index: 1.631
• Boiling Point: 475.4 °C at 760 mmHg
• PKA: 14.15±0.40(Predicted)
• Flash Point: 187.4 °C
• PSA: 20.23000
• Density: 1.143 g/cm³
• LogP: 5.11700
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated)
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 300.151415257
• Heavy Atom Count: 23
• Complexity: 364

Purity/Quality:

99%, ^*data from raw suppliers

3-([1,1'-Biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC2=CC=CC=C2C1O)C3=CC=C(C=C3)C4=CC=CC=C4
• Uses: 3-(4-Biphenylyl)-1,2,3,4-tetrahydro-1-naphthol is a useful synthetic intermediate in the synthesis of Difenacoum (D445350); a 4-hydroxycouramin derivative and second generation anticoagulant rodenticide used against rodent pests such as rats and mice.

Technology Process of 3-([1,1'-Biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

There total 1 articles about 3-([1,1'-Biphenyl]-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol 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:

→ (+/-)-cis/trans-3-(Biphenyl-4'-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (56181-66-9)

Guidance literature:

3-p-Biphenyl-tetralin-1-on, Aluminiumisopropylat;

Reference yield: 95.0%

(+/-)-cis/trans-3-(Biphenyl-4'-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (56181-66-9) → 3-(1,1'-biphenyl)-4-yl-1-bromo-1,2,3,4-tetrahydronaphthalene (56181-67-0)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 0 ℃;

DOI:10.1039/a607269k

Reference yield:

4-hydroxy[1]benzopyran-2-one (1076-38-6,92395-12-5) + (+/-)-cis/trans-3-(Biphenyl-4'-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (56181-66-9) → difenacoum (56073-07-5)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; toluene;

Downstream raw materials:

cis difenacoum

trans difenacoum

3-(1,1'-biphenyl)-4-yl-1-bromo-1,2,3,4-tetrahydronaphthalene

difenacoum