1-{4-[5-(4-Acetylphenyl)pentyl]phenyl}ethanone

Base Information

• Chemical Name: 1-{4-[5-(4-Acetylphenyl)pentyl]phenyl}ethanone
• CAS No.: 68114-85-2
• Molecular Formula: C21H24O2
• Molecular Weight: 308.4141
• European Community (EC) Number: 651-450-5
• NSC Number: 86427
• DSSTox Substance ID: DTXSID70292915
• Wikidata: Q82031418
• Mol file: 68114-85-2.mol

Synonyms:1-{4-[5-(4-Acetylphenyl)pentyl]phenyl}ethanone;68114-85-2;1-(4-[5-(4-Acetylphenyl)pentyl]phenyl)ethanone;NSC86427;NCIOpen2_009305;DTXSID70292915;FIERTOBUROGWLU-UHFFFAOYSA-N;NSC-86427;AKOS024322225

Chemical Property of 1-{4-[5-(4-Acetylphenyl)pentyl]phenyl}ethanone

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 308.177630004
• Heavy Atom Count: 23
• Complexity: 335

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)CCCCCC2=CC=C(C=C2)C(=O)C

Technology Process of 1-{4-[5-(4-Acetylphenyl)pentyl]phenyl}ethanone

There total 5 articles about 1-{4-[5-(4-Acetylphenyl)pentyl]phenyl}ethanone 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: 79.0%

4-Iodoacetophenone (13329-40-3) + C13H17IO (1266681-94-0) → 4-(5-(4-acetylphenyl)pentyl)acetophenone (68114-85-2)

Guidance literature:

C₁₃H₁₇IO; With indium; copper(l) chloride; In tetrahydrofuran; at 20 ℃; for 24h;

4-Iodoacetophenone; With bis-triphenylphosphine-palladium(II) chloride; lithium chloride; In N,N-dimethyl acetamide; at 100 ℃; for 24h;

DOI:10.1002/anie.201005798

Reference yield:

1,5-diphenyl-3-pentanone (5396-91-8) → 4-(5-(4-acetylphenyl)pentyl)acetophenone (68114-85-2)

Guidance literature:

Multi-step reaction with 2 steps

1: N₂H₄+H₂O; KOH; diethylene glycol

2: AlCl₃

With potassium hydroxide; aluminium trichloride; hydrazine hydrate; diethylene glycol;

DOI:10.1021/ja01638a022

Reference yield:

1,5-diphenylpentane (1718-50-9) + acetic anhydride (108-24-7) → 4-(5-(4-acetylphenyl)pentyl)acetophenone (68114-85-2)

Guidance literature:

With aluminium trichloride;

DOI:10.1021/ja01638a022

upstream raw materials:

1,5-diphenylpentane

acetic anhydride

acetyl chloride

1,5-diphenyl-3-pentanone

Downstream raw materials:

1,5-bis-[4-(1-hydroxy-ethyl)-phenyl]-pentane

1,5-bis-(4-vinyl-phenyl)-pentane