Methyl 2-(2-(4-nitrobenzoyl)-4,5-methylenedioxyphenyl)propionate

Base Information

Chemical Name:Methyl 2-(2-(4-nitrobenzoyl)-4,5-methylenedioxyphenyl)propionate
CAS No.:197369-16-7
Molecular Formula:C₁₈H₁₅NO₇
Molecular Weight:357.32
Hs Code.:
DSSTox Substance ID:DTXSID301181868

Synonyms:SCHEMBL6625811;HYDHNYHBKZFKBA-UHFFFAOYSA-N;DTXSID301181868;Methyl 2-(2-(4-nitrobenzoyl)-4,5-methylenedioxyphenyl)propionate;Methyl alpha-methyl-6-(4-nitrobenzoyl)-1,3-benzodioxole-5-acetate;197369-16-7

Suppliers and Price of Methyl 2-(2-(4-nitrobenzoyl)-4,5-methylenedioxyphenyl)propionate

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

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Chemical Property of Methyl 2-(2-(4-nitrobenzoyl)-4,5-methylenedioxyphenyl)propionate

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:357.08485182
Heavy Atom Count:26
Complexity:552

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)[N+](=O)[O-])OCO2)C(=O)OC

Technology Process of Methyl 2-(2-(4-nitrobenzoyl)-4,5-methylenedioxyphenyl)propionate

There total 3 articles about Methyl 2-(2-(4-nitrobenzoyl)-4,5-methylenedioxyphenyl)propionate 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: 33.0%

: 126934-94-9,24314-70-3
methyl 2-(3,4-methylenedioxyphenyl)propionate

: 62-23-7
4-nitro-benzoic acid

: 197369-16-7
methyl 2-[2-(4-nitrobenzoyl)-4,5-methylenedioxy-phenyl]propionate

Guidance literature:: With phosphorus pentaoxide; In 1,2-dichloro-ethane; at 20 ℃;
DOI:10.1021/jm050552y

Reference yield: 12.3%

: 126934-94-9,24314-70-3
methyl 2-(3,4-methylenedioxyphenyl)propionate

P₂ O₅: P₂ O₅

: 107-06-2,52399-93-6
1,2-dichloro-ethane

: 62-23-7
4-nitro-benzoic acid

: 197369-16-7
methyl 2-[2-(4-nitrobenzoyl)-4,5-methylenedioxy-phenyl]propionate

Guidance literature:: In water;

Reference yield:

: 326-59-0
benzo[1,3]dioxol-5-yl-acetic acid methyl ester

: 197369-16-7
methyl 2-[2-(4-nitrobenzoyl)-4,5-methylenedioxy-phenyl]propionate

Guidance literature:: Multi-step reaction with 2 steps

1.1: potassium hydride / tetrahydrofuran / 0.5 h / -70 °C

1.2: 86.8 percent / tetrahydrofuran / 16 h / -70 - 20 °C

2.1: 33 percent / phosphorus pentoxide / 1,2-dichloro-ethane / 20 °C

With phosphorus pentaoxide; potassium hydride; In tetrahydrofuran; 1,2-dichloro-ethane; 2.1: Friedel-Crafts acylation;
DOI:10.1021/jm050552y