2-(Decan-5-YL)phenol

Base Information

• Chemical Name: 2-(Decan-5-YL)phenol
• CAS No.: 17404-51-2
• Molecular Formula: C₁₆H₂₆O
• Molecular Weight: 234.382
• DSSTox Substance ID: DTXSID30708461
• Nikkaji Number: J1.632.593G
• Mol file: 17404-51-2.mol

Synonyms:o-(Decane-5-yl)phenol;SCHEMBL984148;2-(DECAN-5-YL)PHENOL;DTXSID30708461;17404-51-2

Chemical Property of 2-(Decan-5-YL)phenol

Chemical Property:

• XLogP3: 6.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 234.198365449
• Heavy Atom Count: 17
• Complexity: 178

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC(CCCC)C1=CC=CC=C1O

Technology Process of 2-(Decan-5-YL)phenol

There total 3 articles about 2-(Decan-5-YL)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:

2-<1-Pentyl-penten-(1)-yl>-phenol (17403-78-0) → 2-(5-decyl)phenol (17404-51-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1039/j39670002281

Reference yield:

1-(2-hydroxyphenyl)hexan-1-one (3226-15-1) → 2-(5-decyl)phenol (17404-51-2)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) , (ii) TsOH

2: H₂ / Pd-C / ethanol

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1039/j39670002281

Reference yield:

2-(1-propylheptyl)phenol (17404-50-1) → 2-(5-decyl)phenol (17404-51-2)

Guidance literature:

Al(Hal)3; at 199.9 ℃; for 7h; Equilibrium constant; var. time;

DOI:10.1016/0021-9614(89)90139-0

upstream raw materials:

2-<1-Pentyl-penten-(1)-yl>-phenol

2-(1-propylheptyl)phenol

1-(2-hydroxyphenyl)hexan-1-one

Downstream raw materials:

2-(1-propylheptyl)phenol

4,6-Dinitro-2-(1-butylhexyl)-phenol

Refernces

• 1、 Pianka,Edwards. "Structures and pesticidal activities of derivatives of dinitro-phenols. IV. Preparation of certain 2-(alpha-branched alkyl)-4,6-dinitro- and 4-(alpha-branched alkyl)-2,6-dinitro-phenols.". . p. 2281 - 2290. Retrieved 2007/10/05.