3,3-Diethoxy-1-phenylpropan-1-one

Base Information

• Chemical Name: 3,3-Diethoxy-1-phenylpropan-1-one
• CAS No.: 36234-10-3
• Molecular Formula: C13H18O3
• Molecular Weight: 222.284
• DSSTox Substance ID: DTXSID10500268
• Nikkaji Number: J46.619K
• Wikidata: Q63392713
• Mol file: 36234-10-3.mol

Synonyms:36234-10-3;3,3-Diethoxy-1-phenylpropan-1-one;SCHEMBL9155651;benzoylacetaldehyde diethyl acetal;3,3-DIETHOXYPROPIOPHENONE;DTXSID10500268;AKOS017558422;Q63392713

Chemical Property of 3,3-Diethoxy-1-phenylpropan-1-one

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 320.234oC at 760 mmHg
• Flash Point: 138.495oC
• PSA: 35.53000
• Density: 1.026g/cm3
• LogP: 2.65850
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 222.125594432
• Heavy Atom Count: 16
• Complexity: 191

Purity/Quality:

99% ^*data from raw suppliers

3,3-DIETHOXY-1-PHENYL-1-PROPANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(CC(=O)C1=CC=CC=C1)OCC

Technology Process of 3,3-Diethoxy-1-phenylpropan-1-one

There total 13 articles about 3,3-Diethoxy-1-phenylpropan-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: 87.0%

1-styrenyloxytrimethylsilane (13735-81-4) + orthoformic acid triethyl ester (122-51-0) → 3-Oxo-3-phenylpropanal 1-(diethylacetal) (36234-10-3)

Guidance literature:

With trimethylsilyl iodide; In dichloromethane; at -78 ℃; for 1h;

DOI:10.1246/bcsj.56.3195

Reference yield: 83.0%

diethoxycarbonium fluoroborate (1478-41-7) + acetophenone (98-86-2) → 3-Oxo-3-phenylpropanal 1-(diethylacetal) (36234-10-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at -78 ℃;

DOI:10.1021/jo00325a023

Reference yield: 65.0%

sodium ethanolate (141-52-6) + 1-phenyl-3-(methylnitroamino)-2-propen-1-one (99647-88-8) → 3-Oxo-3-phenylpropanal 1-(diethylacetal) (36234-10-3) + methylnitroamine (598-57-2)

Guidance literature:

In ethanol; at 35 - 40 ℃; for 3h;

upstream raw materials:

phenyl(trimethylsiloxy)acetonitrile

Bromoacetaldehyde diethyl acetal

ethanol

1,1,1,3-tetrachloro-3-phenylpropane

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