4-(4-n-Pentylphenyl)phenol

Base Information

• Chemical Name: 4-(4-n-Pentylphenyl)phenol
• CAS No.: 61760-85-8
• Molecular Formula: C17H20O
• Molecular Weight: 240.345
• Hs Code.: 2907199090
• DSSTox Substance ID: DTXSID70517110
• Wikidata: Q72500331
• Mol file: 61760-85-8.mol

Synonyms:4-(4-n-Pentylphenyl)phenol;61760-85-8;4-(4-pentylphenyl)phenol;4'-pentylbiphenyl-4-ol;4'-Pentyl-[1,1'-biphenyl]-4-ol;[1,1'-Biphenyl]-4-ol, 4'-pentyl-;SCHEMBL982418;4-hydroxy-4'-n-pentylbiphenyl;DTXSID70517110;4'-Pentyl[1,1'-biphenyl]-4-ol;AKOS015917954;FT-0640786;F13749;A833408

Chemical Property of 4-(4-n-Pentylphenyl)phenol

Chemical Property:

• Vapor Pressure: 4.43E-06mmHg at 25°C
• Refractive Index: 1.56
• Boiling Point: 372.6 °C at 760 mmHg
• Flash Point: 176 °C
• PSA: 20.23000
• Density: 1.02 g/cm³
• LogP: 4.79190
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 240.151415257
• Heavy Atom Count: 18
• Complexity: 210

Purity/Quality:

98%Min ^*data from raw suppliers

4-(4-N-PENTYLPHENYL)PHENOL 1.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)O

Technology Process of 4-(4-n-Pentylphenyl)phenol

There total 1 articles about 4-(4-n-Pentylphenyl)phenol 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:

biphenyl (92-52-4,1594-86-1) → 4'-n-pentyl-4-hydroxybiphenyl (61760-85-8)

Guidance literature:

Multi-step reaction with 4 steps

1: boron trifluoride; hydrogen fluoride / toluene / 2 h / -10 - 5 °C / Autoclave

2: hydrogen fluoride / nitrobenzene / 2 h / 0 - 50 °C / Autoclave

3: hydrogen; ruthenium-carbon composite / ethanol / 12 h / 70 °C / 37503.8 Torr / Autoclave

4: 6-amino-2-hydroxy-1H-isoindole-1,3(2H)-dione; Perbenzoic acid / 8 h / 70 °C

With Perbenzoic acid; ruthenium-carbon composite; hydrogen fluoride; boron trifluoride; hydrogen; 6-amino-2-hydroxy-1H-isoindole-1,3(2H)-dione; In ethanol; nitrobenzene; toluene; 2: |Friedel-Crafts Alkylation;

Reference yield: 78.0%

2-(((tert-butyldiphenylsilyl)oxy)methyl)acrylic acid (574741-55-2) + 4'-n-pentyl-4-hydroxybiphenyl (61760-85-8) → C37H42O3Si

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 0 - 20 ℃; for 12h;

Reference yield: 65.0%

4'-n-pentyl-4-hydroxybiphenyl (61760-85-8) + α-trans-2-(cyclopropylcyclopropyl)acetic acid → 4-[α-(trans-2-cyclopropylcyclopropyl)acetoxy]-4'-pentyl-1,1'-biphenyl

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In dichloromethane;

DOI:10.1080/10587250210543

upstream raw materials:

biphenyl

Downstream raw materials:

4'-pentyl(1,1'-biphenyl)-4-yl 4-butylbenzoate

4-n-hexylbenzoic acid 4'-(4-n-pentylphenyl)-phenyl ester

4-n-hexyloxybenzoic acid 4'-(4-n-pentylphenyl)-phenyl ester

4-ethoxybenzoic acid 4'-(4-n-pentylphenyl)-phenyl ester

Refernces