1-(2-Hydroxyphenyl)pentan-1-one

Base Information

• Chemical Name: 1-(2-Hydroxyphenyl)pentan-1-one
• CAS No.: 18430-91-6
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• NSC Number: 49322
• DSSTox Substance ID: DTXSID00939821
• Nikkaji Number: J548.862A
• Wikidata: Q82916381
• Mol file: 18430-91-6.mol

Synonyms:1-(2-hydroxyphenyl)pentan-1-one;18430-91-6;2'-HYDROXYVALEROPHENONE;NSC49322;SCHEMBL5341547;DTXSID00939821;1-(2-hydroxyphenyl)-1-pentanone;NSC-49322;AKOS006285698;SS-4963

Chemical Property of 1-(2-Hydroxyphenyl)pentan-1-one

Chemical Property:

• Vapor Pressure: 0.00399mmHg at 25°C
• Boiling Point: 271°Cat760mmHg
• Flash Point: 113°C
• PSA: 37.30000
• Density: 1.055g/cm³
• LogP: 2.76510
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

2'-HYDROXYVALEROPHENONE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2-Hydroxyphenyl)pentan-1-one

There total 21 articles about 1-(2-Hydroxyphenyl)pentan-1-one 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: 81.0%

n-butyllithium (109-72-8,29786-93-4) + 2,2-dimethyl-4H-benzo[d][1,3]dioxin-4-one (1433-61-0) → 1-(2-hydroxyphenyl)pentan-1-one (18430-91-6) + C15H24O2

Guidance literature:

In tetrahydrofuran; hexane; at -78 ℃; for 1h;

DOI:10.1248/cpb.c19-01117

Reference yield: 80.0%

chloro(butyl)diphenylsilane (24635-48-1) + N,N-diethylsalicylamide (19311-91-2) → 1-(2-hydroxyphenyl)pentan-1-one (18430-91-6)

Guidance literature:

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

DOI:10.1002/anie.201404495

Reference yield: 78.0%

tributylchlorosilane (995-45-9) + N,N-diethylsalicylamide (19311-91-2) → 1-(2-hydroxyphenyl)pentan-1-one (18430-91-6)

Guidance literature:

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

DOI:10.1002/anie.201404495

upstream raw materials:

phenyl valerate

n-valeryl chloride

phenol

2-(1-hydroxypentyl)phenol

Downstream raw materials:

2-<1-Butylpenten-(1)-yl>-phenol

2-<1-Butyl-hepten-(1)-yl>-phenol

Benzyloxythiocarbonylhydrazon des 2-Hydroxybutyrophenons

1-[2-(2,4-Dichloro-benzyloxy)-phenyl]-pentan-1-one