2-Hydroxy-5-pentylbenzonitrile

Base Information

• Chemical Name: 2-Hydroxy-5-pentylbenzonitrile
• CAS No.: 52899-65-7
• Molecular Formula: C12H15NO
• Molecular Weight: 189.257
• DSSTox Substance ID: DTXSID30504026
• Wikidata: Q82358226
• Mol file: 52899-65-7.mol

Synonyms:2-HYDROXY-5-PENTYLBENZONITRILE;52899-65-7;SCHEMBL2769855;DTXSID30504026;FT-0732635

Chemical Property of 2-Hydroxy-5-pentylbenzonitrile

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 189.115364102
• Heavy Atom Count: 14
• Complexity: 206

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Hydroxy-5-pentylbenzonitrile

There total 14 articles about 2-Hydroxy-5-pentylbenzonitrile 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: 78.5%

2-cyano-4-n-pentylanisole (78626-42-3) → 2-cyano 4-n-pentylbutylphenol (52899-65-7)

Guidance literature:

With aluminium(III) iodide; tetra-(n-butyl)ammonium iodide; In acetonitrile; for 12h; Heating;

Reference yield: 40.0%

2-bromo 4-n-pentylphenol (74317-81-0) + copper(I) cyanide (544-92-3) → 2-cyano 4-n-pentylbutylphenol (52899-65-7)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; at 200 ℃; for 3h;

DOI:10.1080/00268948108073607

Reference yield: 18.0%

2-cyano 4-pentyl phenylacetate → 2-cyano 4-n-pentylbutylphenol (52899-65-7)

Guidance literature:

With sodium hydroxide; In ethanol; for 1h; Heating;

upstream raw materials:

2-bromo 4-n-pentylphenol

copper(I) cyanide

2-cyano-4-n-pentylanisole

p-Methoxyvalerophenon