Benzenepropanal, 2-formyl-

Base Information

• Chemical Name: Benzenepropanal, 2-formyl-
• CAS No.: 14807-28-4
• Molecular Formula: C10H10O2
• Molecular Weight: 162.188
• DSSTox Substance ID: DTXSID80473697
• Nikkaji Number: J845.874J
• Wikidata: Q82303278
• Mol file: 14807-28-4.mol

Synonyms:Benzenepropanal, 2-formyl-;14807-28-4;SCHEMBL4444470;3-(o-Formylphenyl)propionaldehyd;DTXSID80473697

Chemical Property of Benzenepropanal, 2-formyl-

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 162.068079557
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenepropanal, 2-formyl-

There total 14 articles about Benzenepropanal, 2-formyl- 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%

1,2-Dihydronaphthalene (447-53-0) → 2-(3-oxopropyl)benzaldehyde (14807-28-4)

Guidance literature:

1,2-Dihydronaphthalene; With oxygen; ozone; In dichloromethane; at -78 ℃; for 0.0833333h;

With poly(ethylene glycol)-triphenylphosphine; In dichloromethane; at -78 - 20 ℃; for 2h;

DOI:10.3390/50801018

Reference yield: 91.0%

cis-1,2-dihydroxy-1,2,3,4-tetrahydronaphthalene (14211-53-1,23190-43-4,41137-14-8,57495-92-8,57496-61-4,89920-57-0,95910-43-3,95910-44-4,21016-53-5) → 2-(3-oxopropyl)benzaldehyde (14807-28-4)

Guidance literature:

With sodium periodate; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1039/d0cc02509g

Reference yield: 87.0%

2-(3,3-dimethoxypropyl)benzaldehyde dimethyl acetal (184680-02-2) → 2-(3-oxopropyl)benzaldehyde (14807-28-4)

Guidance literature:

With sulfuric acid; In water; at 50 ℃; for 2h;

DOI:10.1007/BF01457781

upstream raw materials:

1,2-Dihydronaphthalene

cis-1,2-dihydroxy-1,2,3,4-tetrahydronaphthalene

trans-naphthalene-1,2,3,4-tetrahydro-1,2-diol

1,3,4,5-tetrahydro-2-benzoxepin

Downstream raw materials:

3-[2-(hydroxymethyl)phenyl]propan-1-ol

2-benzyl-2,3,4,5-tetrahydro-1H-benzo[c]azepine

2-(2-carboxyethyl)benzoic acid