Ethanone, 2-chloro-1-(2,2-diphenyl-1,3-benzodioxol-5-yl)-

Base Information

• Chemical Name: Ethanone, 2-chloro-1-(2,2-diphenyl-1,3-benzodioxol-5-yl)-
• CAS No.: 81590-38-7
• Molecular Formula: C21H15ClO3
• Molecular Weight: 350.801
• DSSTox Substance ID: DTXSID90442278
• Wikidata: Q82259467
• Mol file: 81590-38-7.mol

Synonyms:81590-38-7;Ethanone, 2-chloro-1-(2,2-diphenyl-1,3-benzodioxol-5-yl)-;2-CHLORO-1-(2,2-DIPHENYL-1,3-BENZODIOXOL-5-YL)ETHANONE;SCHEMBL12450809;1-(2,2-Diphenyl-1,3-benzodioxol-5-yl)-2-chloroethanone;DTXSID90442278;JNKDWKZIKYADJR-UHFFFAOYSA-N;AKOS030254790

Chemical Property of Ethanone, 2-chloro-1-(2,2-diphenyl-1,3-benzodioxol-5-yl)-

Chemical Property:

• PSA: 35.53000
• LogP: 4.78060
• Solubility.: Dichloromethane, Ethyl Acetate, Methanol
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 350.0709720
• Heavy Atom Count: 25
• Complexity: 450

Purity/Quality:

1-(2,2-Diphenyl-1,3-benzodioxol-5-yl)-2-chloroethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2(OC3=C(O2)C=C(C=C3)C(=O)CCl)C4=CC=CC=C4
• Uses: 1-(2,2-Diphenyl-1,3-benzodioxol-5-yl)-2-chloroethanone is used in the preparation of anthocyanins.

Technology Process of Ethanone, 2-chloro-1-(2,2-diphenyl-1,3-benzodioxol-5-yl)-

There total 1 articles about Ethanone, 2-chloro-1-(2,2-diphenyl-1,3-benzodioxol-5-yl)- 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: 89.0%

Dichlorodiphenylmethane (2051-90-3) + 2-chloro-3',4'-dihydroxyacetophenone (99-40-1) → 2-chloro-3',4'-diphenylmethylenedioxyacetophenone (81590-38-7)

Guidance literature:

In toluene; for 24h; Heating / reflux;

Reference yield: 98.0%

2-chloro-3',4'-diphenylmethylenedioxyacetophenone (81590-38-7) → 2-iodo-3',4'-diphenylmethylenedioxyacetophenone (917379-97-6)

Guidance literature:

With sodium iodide; In acetonitrile; at 20 ℃; Heating / reflux;

Reference yield: 97.0%

2-chloro-3',4'-diphenylmethylenedioxyacetophenone (81590-38-7) → 2-bromo-3',4'-diphenylmethylenedioxyacetophenone

Guidance literature:

With sodium bromide; In acetone; Heating / reflux;

upstream raw materials:

Dichlorodiphenylmethane

2-chloro-3',4'-dihydroxyacetophenone

Downstream raw materials:

3-{Benzyl-[2-(2,2-diphenyl-benzo[1,3]dioxol-5-yl)-2-oxo-ethyl]-amino}-propionic acid methyl ester

3-{Benzyl-[2-(2,2-diphenyl-benzo[1,3]dioxol-5-yl)-2-oxo-ethyl]-amino}-propionic acid ethyl ester

3-[2-(3,4-Dihydroxy-phenyl)-2-hydroxy-ethylamino]-propionic acid ethyl ester

3-{Benzyl-[2-(2,2-diphenyl-benzo[1,3]dioxol-5-yl)-2-hydroxy-ethyl]-amino}-propionic acid methyl ester