1-(2-Hydroxyphenyl)-1-heptanone

Base Information

• Chemical Name: 1-(2-Hydroxyphenyl)-1-heptanone
• CAS No.: 22362-59-0
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• DSSTox Substance ID: DTXSID501304270
• Mol file: 22362-59-0.mol

Synonyms:1-(2-hydroxyphenyl)-1-heptanone;SCHEMBL6696912;DTXSID501304270;22362-59-0

Chemical Property of 1-(2-Hydroxyphenyl)-1-heptanone

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 189

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(=O)C1=CC=CC=C1O

Technology Process of 1-(2-Hydroxyphenyl)-1-heptanone

There total 16 articles about 1-(2-Hydroxyphenyl)-1-heptanone 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: 84.0%

trihexylsilyl chloride (3634-67-1) + N,N-diethylsalicylamide (19311-91-2) → 1-(2-hydroxyphenyl)heptan-1-one (22362-59-0)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at 0 - 20 ℃; for 8h; Inert atmosphere;

DOI:10.1002/anie.201404495

Reference yield: 61.0%

trihexylsilyl chloride (3634-67-1) + O-phenyl N,N-diethylcarbamate (65009-00-9) → 1-(2-hydroxyphenyl)heptan-1-one (22362-59-0)

Guidance literature:

O-phenyl N,N-diethylcarbamate; With lithium diisopropyl amide; In tetrahydrofuran; at -78 - 20 ℃; for 12h; Inert atmosphere;

trihexylsilyl chloride; In tetrahydrofuran; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1002/anie.201404495

Reference yield: 49.0%

→ 4-heptanoylphenol (14392-72-4) + 1-(2-hydroxyphenyl)heptan-1-one (22362-59-0)

Guidance literature:

With aluminum (III) chloride; In chlorobenzene; for 3.5h; Reflux;

upstream raw materials:

heptanoic acid phenyl ester

Heptanoic acid chloride

phenol

n-butyllithium

Downstream raw materials:

2-((E)-1-Hexyl-hept-1-enyl)-phenol

2-(1-iminoheptyl)phenol

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

2-(1-Hexylheptyl)-phenol