5-Oxo-5-phenylpentanal

Base Information

• Chemical Name: 5-Oxo-5-phenylpentanal
• CAS No.: 75424-63-4
• Molecular Formula: C₁₁H₁₂O₂
• Molecular Weight: 176.215
• DSSTox Substance ID: DTXSID20456121
• Nikkaji Number: J391.268J
• Wikidata: Q82278341
• Mol file: 75424-63-4.mol

Synonyms:5-OXO-5-PHENYLPENTANAL;75424-63-4;4-benzoylbutyraldehyde;SCHEMBL946292;DTXSID20456121;5-oxidanylidene-5-phenyl-pentanal;A838409

Chemical Property of 5-Oxo-5-phenylpentanal

Chemical Property:

• Boiling Point: 110-116 °C(Press: 0.2 Torr)
• Density: 1.050±0.06 g/cm3(Predicted)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 176.083729621
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)CCCC=O

Technology Process of 5-Oxo-5-phenylpentanal

There total 57 articles about 5-Oxo-5-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: 97.0%

1-phenyl-6,7,8-trioxa-bicyclo<3.2.1>octane (23253-31-8) → 5-oxo-5-phenylpentanal (75424-63-4)

Guidance literature:

With triphenylphosphine; In dichloromethane; for 12h; Ambient temperature;

DOI:10.1016/0040-4020(95)98699-I

Reference yield: 93.0%

2-(3-benzoylpropyl)-1,3-dioxolane (129847-04-7) → 5-oxo-5-phenylpentanal (75424-63-4)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran;

DOI:10.1016/S0040-4039(00)97465-3

Reference yield: 92.0%

1-phenyl-6,7,8-trioxa-bicyclo<3.2.1>octane (23253-31-8) → 5-oxo-5-phenylpentanal (75424-63-4) + 5-oxo-5-phenylvaleric acid (1501-05-9)

Guidance literature:

With dimethylsulfide; In dichloromethane; for 72h; Product distribution; Mechanism; Ambient temperature;

DOI:10.1016/0040-4020(95)98699-I

upstream raw materials:

cyclopent-1-en-1-ylbenzene

acetic acid

methanol

1-phenyl-6,7,8-trioxa-bicyclo<3.2.1>octane

Downstream raw materials:

5-oxo-5-phenylvaleric acid

(1S,5R)-3-Oxo-1-phenyl-9-oxa-bicyclo[3.3.1]nonane-2-carboxylic acid methyl ester

(S)-3-Methyl-2-((S)-2-phenyl-piperidin-1-yl)-butyric acid methyl ester

2-phenylpyridine