1-[2-Hydroxy-5-(3-phenylpropyl)phenyl]ethan-1-one

Base Information

• Chemical Name: 1-[2-Hydroxy-5-(3-phenylpropyl)phenyl]ethan-1-one
• CAS No.: 61270-17-5
• Molecular Formula: C17H18O2
• Molecular Weight: 254.329
• DSSTox Substance ID: DTXSID30493764
• Wikidata: Q82340695

Synonyms:61270-17-5;1-[2-Hydroxy-5-(3-phenylpropyl)phenyl]ethan-1-one;DTXSID30493764

Chemical Property of 1-[2-Hydroxy-5-(3-phenylpropyl)phenyl]ethan-1-one

Chemical Property:

• Melting Point: 232°C
• PSA: 37.30000
• LogP: 3.77010
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 254.130679813
• Heavy Atom Count: 19
• Complexity: 281

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC(=C1)CCCC2=CC=CC=C2)O

Technology Process of 1-[2-Hydroxy-5-(3-phenylpropyl)phenyl]ethan-1-one

There total 4 articles about 1-[2-Hydroxy-5-(3-phenylpropyl)phenyl]ethan-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:

4'-hydroxychalcone (2657-25-2,38239-52-0,102692-58-0) → 1-[2-hydroxy-5-(3-phenyl-propyl)-phenyl]-ethanone (61270-17-5)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) H₂, Pd-C, (ii) Zn-Hg, aq. HCl

2: BF₃, AcOH / 100 °C

With boron trifluoride; acetic acid;

DOI:10.1021/jm00213a012

Reference yield:

4-(3-phenylpropyl)phenol (34591-21-4) + acetic anhydride (108-24-7) → 1-[2-hydroxy-5-(3-phenyl-propyl)-phenyl]-ethanone (61270-17-5)

Guidance literature:

With boron trifluoride; acetic acid; at 100 ℃;

DOI:10.1021/jm00213a012

Reference yield:

1-acetoxy-4-(3-phenyl-propyl)-benzene (170012-73-4) + chlorobenzene (108-90-7) → 1-[2-hydroxy-5-(3-phenyl-propyl)-phenyl]-ethanone (61270-17-5)

Guidance literature:

With aluminium trichloride;

DOI:10.1002/ardp.19332710703

upstream raw materials:

1-acetoxy-4-(3-phenyl-propyl)-benzene

chlorobenzene

4-(3-phenylpropyl)phenol

acetic anhydride

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