Ethyl 3-bromo-4,5-dimethoxy-beta-oxobenzenepropanoate

Base Information

Chemical Name:Ethyl 3-bromo-4,5-dimethoxy-beta-oxobenzenepropanoate
CAS No.:141613-47-0
Molecular Formula:C₁₃H₁₅BrO₅
Molecular Weight:331.163
Hs Code.:
DSSTox Substance ID:DTXSID801226516

Synonyms:DTXSID801226516;141613-47-0

Suppliers and Price of Ethyl 3-bromo-4,5-dimethoxy-beta-oxobenzenepropanoate

Supply Marketing:

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

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Chemical Property of Ethyl 3-bromo-4,5-dimethoxy-beta-oxobenzenepropanoate

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:330.01029
Heavy Atom Count:19
Complexity:320

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)CC(=O)C1=CC(=C(C(=C1)Br)OC)OC

Technology Process of Ethyl 3-bromo-4,5-dimethoxy-beta-oxobenzenepropanoate

There total 3 articles about Ethyl 3-bromo-4,5-dimethoxy-beta-oxobenzenepropanoate 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: 58.0%

: 141613-46-9
1-(3-bromo-4,5-dimethoxyphenyl)ethanone

: 105-58-8,76619-83-5
Diethyl carbonate

: 141613-47-0
ethyl 3-(3-bromo-4,5-dimethoxyphenyl)-3-oxopropionate

Guidance literature:: With sodium hydride; at 80 ℃; for 3h;
DOI:10.1021/jm00092a014

Reference yield:

: 6948-30-7
5-bromoveratralaldehyde

: 141613-47-0
ethyl 3-(3-bromo-4,5-dimethoxyphenyl)-3-oxopropionate

Guidance literature:: Multi-step reaction with 3 steps

1: 72 percent / tetrahydrofuran / -78 - 20 °C

2: 90 percent / Jones reagent / acetone / 0.33 h / Ambient temperature

3: 58 percent / NaH / 3 h / 80 °C

With jones reagent; sodium hydride; In tetrahydrofuran; acetone;
DOI:10.1021/jm00092a014

Reference yield:

: 5293-21-0
1-(3-bromo-4,5-dimethoxyphenyl)-1-ethanol

: 141613-47-0
ethyl 3-(3-bromo-4,5-dimethoxyphenyl)-3-oxopropionate

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / Jones reagent / acetone / 0.33 h / Ambient temperature

2: 58 percent / NaH / 3 h / 80 °C

With jones reagent; sodium hydride; In acetone;
DOI:10.1021/jm00092a014