1-(4-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one
• CAS No.: 147030-64-6
• Molecular Formula: C12H13ClO3
• Molecular Weight: 240.686
• DSSTox Substance ID: DTXSID80373921
• Wikidata: Q82162323
• Mol file: 147030-64-6.mol

Synonyms:147030-64-6;1-(4-chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one;4'-Chloro-3-(1,3-dioxolan-2-yl)propiophenone;SCHEMBL7287642;DTXSID80373921;CIKROGMCCUIOIG-UHFFFAOYSA-N;4'-chloro-3(1,3-dioxolan-2-yl)propiophenone;A919561

Chemical Property of 1-(4-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 240.0553220
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COC(O1)CCC(=O)C2=CC=C(C=C2)Cl

Technology Process of 1-(4-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-1-one

There total 3 articles about 1-(4-Chlorophenyl)-3-(1,3-dioxolan-2-yl)propan-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: 54.0%

ethyleneglycol vinyl ether (764-48-7) + 4-chlorobenzoylmethyl bromide (536-38-9) → 4'-chloro-3-(1,3-dioxolan-2-yl)propiophenone (147030-64-6)

Guidance literature:

With C₁₆H₁₁BBr₂F₂N₂O; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; Inert atmosphere; Irradiation;

DOI:10.1021/acs.joc.1c01598

Reference yield:

2-bromo-2-(2-ethyl)dioxolane (18742-02-4) + 4-chloro-benzoyl chloride (122-01-0) → 4'-chloro-3-(1,3-dioxolan-2-yl)propiophenone (147030-64-6)

Guidance literature:

With magnesium chloride; copper(I) bromide; In tetrahydrofuran; water;

Reference yield:

1,3-dioxolan-2-ylethylmagnesium bromide (37610-80-3) + 4-chloro-N-methoxy-N-methylbenzamide (122334-37-6) → 4'-chloro-3-(1,3-dioxolan-2-yl)propiophenone (147030-64-6)

Guidance literature:

In tetrahydrofuran; at -70 ℃;

upstream raw materials:

1,3-dioxolan-2-ylethylmagnesium bromide

4-chloro-N-methoxy-N-methylbenzamide

2-bromo-2-(2-ethyl)dioxolane

4-chloro-benzoyl chloride

Downstream raw materials:

N-[2-[2-(p-chlorophenyl)-pyrrol-1-yl]ethyl]acetamide

6-(p-Chlorophenyl)-3,4-dihydro-1-methylpyrrolo[1,2-a]pyrazine

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