1-(2,6-Dihydroxyphenyl)-1-pentanone

Base Information

• Chemical Name: 1-(2,6-Dihydroxyphenyl)-1-pentanone
• CAS No.: 63411-80-3
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• ChEMBL ID: CHEMBL3274340
• DSSTox Substance ID: DTXSID501292831
• Metabolomics Workbench ID: 107582
• Nikkaji Number: J3.217.248B
• Wikidata: Q77504548
• Mol file: 63411-80-3.mol

Synonyms:1-(2,6-dihydroxyphenyl)pentan-1-one

Chemical Property of 1-(2,6-Dihydroxyphenyl)-1-pentanone

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 181

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2,6-Dihydroxyphenyl)-1-pentanone

There total 2 articles about 1-(2,6-Dihydroxyphenyl)-1-pentanone 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:

7-hydroxy-4-methyl-8-valeryl-coumarin (6324-54-5) → 1-(2,6-dihydroxyphenyl)pentan-1-one (63411-80-3)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01865a081

Reference yield:

→ 1-(2,6-dihydroxyphenyl)pentan-1-one (63411-80-3)

Guidance literature:

Resorcin, 1.) Acetessigester, H2SO4 (-> 7-Hydroxy-4-methylcumarin), 2.) Acylierung, 3.) AlCl3, Fries'sche Verschiebg., 4.) Hydrolyse;

DOI:10.1021/jm00219a017

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 1-(2,6-dihydroxyphenyl)pentan-1-one (63411-80-3) → recorcinol (108-46-3)

Guidance literature:

DOI:10.1021/ja01865a081

upstream raw materials:

7-hydroxy-4-methyl-8-valeryl-coumarin

Downstream raw materials:

7-hydroxy-4-methyl-8-valeryl-coumarin

2-pentyl-resorcinol

recorcinol