Methyl 3-oxobutan-2-yl benzene-1,2-dicarboxylate

Base Information

Chemical Name:Methyl 3-oxobutan-2-yl benzene-1,2-dicarboxylate
CAS No.:88341-28-0
Molecular Formula:C₁₃H₁₄O₅
Molecular Weight:250.251
Hs Code.:
DSSTox Substance ID:DTXSID00527383

Synonyms:88341-28-0;Methyl 3-oxobutan-2-yl benzene-1,2-dicarboxylate;DTXSID00527383

Suppliers and Price of Methyl 3-oxobutan-2-yl benzene-1,2-dicarboxylate

Supply Marketing:

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

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Chemical Property of Methyl 3-oxobutan-2-yl benzene-1,2-dicarboxylate

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:250.08412354
Heavy Atom Count:18
Complexity:336

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(=O)C)OC(=O)C1=CC=CC=C1C(=O)OC

Technology Process of Methyl 3-oxobutan-2-yl benzene-1,2-dicarboxylate

There total 4 articles about Methyl 3-oxobutan-2-yl benzene-1,2-dicarboxylate 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: 100.0%

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 88341-26-8
1-methyl-2-oxopropyl hydrogen phthalate

: 88341-28-0
methyl 1-methyl-2-oxopropyl phthalate

Guidance literature:: In diethyl ether; at 0 ℃;
DOI:10.1039/P19830002435

Reference yield:

: C₁₃H₁₄O₄

: Phthalic acid 1-methyl ester 2-(3-oxo-butyl) ester

: C₁₃H₁₄O₅

: C₁₃H₁₄O₄

: 88341-28-0
methyl 1-methyl-2-oxopropyl phthalate

Guidance literature:: With dichloro bis(acetonitrile) palladium(II); p-benzoquinone; In acetone; tert-butyl alcohol; at 20 ℃; regioselective reaction; Inert atmosphere;
DOI:10.1002/anie.201301809

Reference yield:

: 4397-55-1
phthalic monoacid monomethyl ester chloride

: Phthalic acid 1-methyl ester 2-(3-oxo-butyl) ester

: C₁₃H₁₄O₅

: C₁₃H₁₄O₄

: 88341-28-0
methyl 1-methyl-2-oxopropyl phthalate

Guidance literature:: Multi-step reaction with 2 steps

1.1: pyridine / dichloromethane / 0 °C / Inert atmosphere

1.2: 0 - 20 °C / Inert atmosphere

2.1: dichloro bis(acetonitrile) palladium(II); p-benzoquinone / tert-butyl alcohol; acetone / 20 °C / Inert atmosphere

With pyridine; dichloro bis(acetonitrile) palladium(II); p-benzoquinone; In dichloromethane; acetone; tert-butyl alcohol; 2.1: |Wacker Oxidation;
DOI:10.1002/anie.201301809