4'-Chloro-3-(1,3-dioxan-2-YL)propiophenone

Base Information

• Chemical Name: 4'-Chloro-3-(1,3-dioxan-2-YL)propiophenone
• CAS No.: 724708-06-9
• Molecular Formula: C₁₃H₁₅ClO₃
• Molecular Weight: 254.713
• DSSTox Substance ID: DTXSID90465866
• Wikidata: Q82292143
• Mol file: 724708-06-9.mol

Synonyms:4'-CHLORO-3-(1,3-DIOXAN-2-YL)PROPIOPHENONE;724708-06-9;1-(4-chlorophenyl)-3-(1,3-dioxan-2-yl)propan-1-one;MFCD02261796;SCHEMBL21747244;DTXSID90465866;AKOS016023314

Chemical Property of 4'-Chloro-3-(1,3-dioxan-2-YL)propiophenone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 254.0709720
• Heavy Atom Count: 17
• Complexity: 243

Purity/Quality:

96% ^*data from raw suppliers

4'-CHLORO-3-(1,3-DIOXAN-2-YL)PROPIOPHENONE ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COC(OC1)CCC(=O)C2=CC=C(C=C2)Cl

Technology Process of 4'-Chloro-3-(1,3-dioxan-2-YL)propiophenone

There total 1 articles about 4'-Chloro-3-(1,3-dioxan-2-YL)propiophenone 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: 83.0%

(1,3-dioxan-2-yl)ethylmagnesium bromide + 4-chloro-benzoyl chloride (122-01-0) → 1-(4-chlorobromophenyl)-3-(1,3-dioxan-2-yl)propan-1-one (724708-06-9)

Guidance literature:

With iron(III)-acetylacetonate; In tetrahydrofuran; at -78 ℃;

DOI:10.1021/jo0498866

upstream raw materials:

4-chloro-benzoyl chloride

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