4-Phenylpentanal

Base Information

• Chemical Name: 4-Phenylpentanal
• CAS No.: 15197-68-9
• Molecular Formula: C₁₁H₁₄O
• Molecular Weight: 162.232
• UNII: 40Z16849E9
• Nikkaji Number: J185.760F
• Wikidata: Q27258361
• Mol file: 15197-68-9.mol

Synonyms:4-phenylpentanal;Valeraldehyde, 4-phenyl-;4-Phenylpentanal, (+/-)-;4-Methyl-4-phenylbutyraldehyde;15197-68-9;Benzenebutanal, gamma-methyl-;UNII-40Z16849E9;40Z16849E9;SCHEMBL752037;BENZENEBUTANAL, .GAMMA.-METHYL-;EN300-1865610;Q27258361

Chemical Property of 4-Phenylpentanal

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 125

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(CCC=O)C1=CC=CC=C1

Technology Process of 4-Phenylpentanal

There total 14 articles about 4-Phenylpentanal 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: 96.0%

3-Methyl-2-(3-phenyl-butyl)-thiazolidine (115755-17-4) → 4-phenylpentanal (15197-68-9)

Guidance literature:

With mercury dichloride; In water; acetonitrile;

DOI:10.1016/S0040-4020(01)90345-X

Reference yield: 56.0%

N-Formylpiperidine (2591-86-8) + 1-bromo-3-phenylbutane (5801-17-2) → 4-phenylpentanal (15197-68-9)

Guidance literature:

1-bromo-3-phenylbutane; With magnesium;

N-Formylpiperidine; at 0 ℃; for 0.5h;

DOI:10.1016/j.tet.2006.07.102

Reference yield: 51.0%

4-phenylpentan-1-ol (19967-24-9) → 4-phenylpentanal (15197-68-9)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 25 ℃; for 2h; Molecular sieve; Inert atmosphere;

DOI:10.1039/c9cc00223e

upstream raw materials:

iodobenzene

n-Pent-4-enyl alcohol

3-Methyl-2-(3-phenyl-butyl)-thiazolidine

N-Formylpiperidine

Downstream raw materials:

2-methyl-6-phenyl-2-heptene

5-hexen-2-ylbenzene