2-(1-Methylpentyl)-6-propylphenol

Base Information

• Chemical Name: 2-(1-Methylpentyl)-6-propylphenol
• CAS No.: 74926-94-6
• Molecular Formula: C15H24O
• Molecular Weight: 220.355
• DSSTox Substance ID: DTXSID90996423
• Nikkaji Number: J86.612A
• ChEMBL ID: CHEMBL30203

Synonyms:2-(1-Methylpentyl)-6-propylphenol;BRN 5508886;Phenol, 2-(1-methylpentyl)-6-propyl-;74926-94-6;CHEMBL30203;DTXSID90996423;2-(Hexan-2-yl)-6-propylphenol;LS-104899

Chemical Property of 2-(1-Methylpentyl)-6-propylphenol

Chemical Property:

• Vapor Pressure: 0.000395mmHg at 25°C
• Boiling Point: 307.6°Cat760mmHg
• Flash Point: 143.2°C
• Density: 0.93g/cm³
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 220.182715385
• Heavy Atom Count: 16
• Complexity: 178

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(C)C1=CC=CC(=C1O)CCC

Technology Process of 2-(1-Methylpentyl)-6-propylphenol

There total 3 articles about 2-(1-Methylpentyl)-6-propylphenol 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:

2-Allyl-6-(1-methyl-pentyl)-phenol → 2-(1-Methyl-pentyl)-6-propyl-phenol (74926-94-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; at 25 ℃; for 0.25h; under 760 Torr; Yield given;

DOI:10.1021/jm00186a013

Reference yield:

2-(1-methylpentyl)phenol (26449-33-2) → 2-(1-Methyl-pentyl)-6-propyl-phenol (74926-94-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 1 N aq. NaOH, benzyltri-n-butylammonium bromide / CH₂Cl₂ / 2 h / Ambient temperature

2: 1.5 h / 250 °C

3: H₂ / 10percent Pd/C / ethanol / 0.25 h / 25 °C / 760 Torr

With sodium hydroxide; hydrogen; benzyl tri-n-butylammonium bromide; palladium on activated charcoal; In ethanol; dichloromethane;

DOI:10.1021/jm00186a013

Reference yield:

1-Allyloxy-2-(1-methyl-pentyl)-benzene → 2-(1-Methyl-pentyl)-6-propyl-phenol (74926-94-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.5 h / 250 °C

2: H₂ / 10percent Pd/C / ethanol / 0.25 h / 25 °C / 760 Torr

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm00186a013

upstream raw materials:

2-(1-methylpentyl)phenol

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