1-(2H-1,3-Benzodioxol-5-yl)-3-(4-chlorophenyl)propane-1,3-dione

Base Information

Chemical Name:1-(2H-1,3-Benzodioxol-5-yl)-3-(4-chlorophenyl)propane-1,3-dione
CAS No.:87724-00-3
Molecular Formula:C₁₆H₁₁ClO₄
Molecular Weight:302.714
Hs Code.:
DSSTox Substance ID:DTXSID60532897
Wikidata:Q82405846

Synonyms:87724-00-3;DTXSID60532897;1-(2H-1,3-Benzodioxol-5-yl)-3-(4-chlorophenyl)propane-1,3-dione

Suppliers and Price of 1-(2H-1,3-Benzodioxol-5-yl)-3-(4-chlorophenyl)propane-1,3-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of 1-(2H-1,3-Benzodioxol-5-yl)-3-(4-chlorophenyl)propane-1,3-dione

Chemical Property:

PSA：52.60000
LogP:3.52440
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:302.0345865
Heavy Atom Count:21
Complexity:403

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1OC2=C(O1)C=C(C=C2)C(=O)CC(=O)C3=CC=C(C=C3)Cl

Technology Process of 1-(2H-1,3-Benzodioxol-5-yl)-3-(4-chlorophenyl)propane-1,3-dione

There total 4 articles about 1-(2H-1,3-Benzodioxol-5-yl)-3-(4-chlorophenyl)propane-1,3-dione 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:

: (2RS,3SR)-3-benzo[1,3]dioxol-5-yl-2,3-dibromo-1-(4-chloro-phenyl)-propan-1-one

: 87724-00-3
1-benzo[1,3]dioxol-5-yl-3-(4-chloro-phenyl)-propane-1,3-dione

Guidance literature:: With methanol; sodium methylate; Erwaermen des Reaktionsgemisches mit wss. Salzsaeure;

Reference yield:

: 120-57-0,30024-74-9
piperonal

: 87724-00-3
1-benzo[1,3]dioxol-5-yl-3-(4-chloro-phenyl)-propane-1,3-dione

Guidance literature:: Multi-step reaction with 3 steps

1: aq.-ethanolic NaOH-solution

2: acetic acid; bromine

3: sodium methylate; methanol / Erwaermen des Reaktionsgemisches mit wss. Salzsaeure

With methanol; sodium hydroxide; bromine; sodium methylate; acetic acid;

Reference yield:

: 69538-64-3
(E)-3-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)prop-2-en-1-one

: 87724-00-3
1-benzo[1,3]dioxol-5-yl-3-(4-chloro-phenyl)-propane-1,3-dione

Guidance literature:: Multi-step reaction with 2 steps

1: acetic acid; bromine

2: sodium methylate; methanol / Erwaermen des Reaktionsgemisches mit wss. Salzsaeure

With methanol; bromine; sodium methylate; acetic acid;