Ethyl 4-[(3,4-dimethoxyphenyl)thio]-3-oxobutanoate

Base Information

Chemical Name:Ethyl 4-[(3,4-dimethoxyphenyl)thio]-3-oxobutanoate
CAS No.:69845-07-4
Molecular Formula:C₁₄H₁₈O₅S
Molecular Weight:298.36
Hs Code.:
DSSTox Substance ID:DTXSID101226860

Synonyms:69845-07-4;Ethyl 4-[(3,4-dimethoxyphenyl)thio]-3-oxobutanoate;DTXSID101226860

Suppliers and Price of Ethyl 4-[(3,4-dimethoxyphenyl)thio]-3-oxobutanoate

Supply Marketing:

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

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Chemical Property of Ethyl 4-[(3,4-dimethoxyphenyl)thio]-3-oxobutanoate

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:298.08749484
Heavy Atom Count:20
Complexity:321

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)CC(=O)CSC1=CC(=C(C=C1)OC)OC

Technology Process of Ethyl 4-[(3,4-dimethoxyphenyl)thio]-3-oxobutanoate

There total 2 articles about Ethyl 4-[(3,4-dimethoxyphenyl)thio]-3-oxobutanoate 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:

: 638-07-3
ethyl (2-chloroaceto)acetate

: 700-96-9
3,4-dimethoxythiophenol

: 69845-07-4
γ-(3,4-Dimethoxy-phenylmercapto)-acetessigsaeure-ethylester

Guidance literature:: With potassium hydroxide; In methanol; at 20 ℃; for 6h;
DOI:10.1016/j.bmc.2005.11.033

Reference yield:

: 69845-07-4
γ-(3,4-Dimethoxy-phenylmercapto)-acetessigsaeure-ethylester

Guidance literature:: entspr. Thiol (1a), 4-Chloracetoacetatethylester;
DOI:10.1002/jhet.5570150822

Reference yield:

: 69845-07-4
γ-(3,4-Dimethoxy-phenylmercapto)-acetessigsaeure-ethylester

: 2-(3,4-dimethoxy-benzenesulfonylmethyl)-4-dimethylaminomethyl-5-hydroxy-1-methyl-1H-indole-3-carboxylic acid ethyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 18 h / 45 °C

2: 1,2-dichloro-ethane / 8 h / Heating

3: hydrogen peroxide / sodium tungstate dihydrate / methanol; CHCl₃ / 1.5 h / 20 °C

4: acetic acid / 8 h / 50 - 55 °C

With dihydrogen peroxide; acetic acid; sodium tungstate; In methanol; chloroform; 1,2-dichloro-ethane; 2: Nenitsescu condensation / 4: Mannich reaction;
DOI:10.1016/j.bmc.2005.11.033