3,4-Dimethoxy-epsilon-oxobenzenehexanoic acid

Base Information

Chemical Name:3,4-Dimethoxy-epsilon-oxobenzenehexanoic acid
CAS No.:38767-74-7
Molecular Formula:C₁₄H₁₈O₅
Molecular Weight:266.294
Hs Code.:
DSSTox Substance ID:DTXSID801278117

Synonyms:DTXSID801278117;3,4-Dimethoxy-epsilon-oxobenzenehexanoic acid;38767-74-7

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Chemical Property of 3,4-Dimethoxy-epsilon-oxobenzenehexanoic acid

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:266.11542367
Heavy Atom Count:19
Complexity:302

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)C(=O)CCCCC(=O)O)OC

Technology Process of 3,4-Dimethoxy-epsilon-oxobenzenehexanoic acid

There total 9 articles about 3,4-Dimethoxy-epsilon-oxobenzenehexanoic acid 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: 97.0%

: 167159-65-1
ethyl 6-(3,4-dimethoxy-(E)-oxobenzene)hexanoate

: 38767-74-7
6-(3,4-dimethoxy-(E)-oxobenzene)hexanoic acid

Guidance literature:: With sodium hydroxide; at 25 ℃; for 3h;
DOI:10.1021/jm9804477

Reference yield:

: 1071-71-2
ethyl 6-chloro-6-oxohexanoate

: 38767-74-7
6-(3,4-dimethoxy-(E)-oxobenzene)hexanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / AlCl₃ / CH₂Cl₂ / 16 h / 0 - 25 °C

2: 97 percent / 10 percent ethanolic NaOH / 3 h / 25 °C

With sodium hydroxide; aluminium trichloride; In dichloromethane;
DOI:10.1021/jm9804477

Reference yield:

: 91-16-7
1,2-dimethoxybenzene

: 38767-74-7
6-(3,4-dimethoxy-(E)-oxobenzene)hexanoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / AlCl₃ / CH₂Cl₂ / 16 h / 0 - 25 °C

2: 97 percent / 10 percent ethanolic NaOH / 3 h / 25 °C

With sodium hydroxide; aluminium trichloride; In dichloromethane;
DOI:10.1021/jm9804477