3,4,4-Trimethoxy-2-methylcyclohexa-2,5-dien-1-one

Base Information

Chemical Name:3,4,4-Trimethoxy-2-methylcyclohexa-2,5-dien-1-one
CAS No.:72796-36-2
Molecular Formula:C10H14O4
Molecular Weight:198.219
Hs Code.:
DSSTox Substance ID:DTXSID80503862
Wikidata:Q82357940

Synonyms:3,4,4-trimethoxy-2-methylcyclohexa-2,5-dien-1-one;72796-36-2;DTXSID80503862;3,4,4-trimethoxy-2-methyl-2,5-cyclohexadien-1-one

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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 3,4,4-Trimethoxy-2-methylcyclohexa-2,5-dien-1-one

Chemical Property:

XLogP3:0.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:198.08920892
Heavy Atom Count:14
Complexity:297

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(C=CC1=O)(OC)OC)OC

Technology Process of 3,4,4-Trimethoxy-2-methylcyclohexa-2,5-dien-1-one

There total 5 articles about 3,4,4-Trimethoxy-2-methylcyclohexa-2,5-dien-1-one 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: 79.0%

: 67-56-1
methanol

: 50827-64-0
3,4-dimethyoxy-2-methylphenol

: 72796-36-2
2-Methyl-3,4,4-trimethoxycyclohexa-2,5-dienone

Guidance literature:: With thallium(III) nitrate; In methanol; at -25 ℃;
DOI:10.1021/jo01295a010

Reference yield:

: 2033-89-8
3,4-dimethoxyphenol

: 72796-36-2
2-Methyl-3,4,4-trimethoxycyclohexa-2,5-dienone

Guidance literature:: Multi-step reaction with 4 steps

1: 86 percent / NaH / dimethylformamide / 0 °C

2: 73 percent / 1.) n-butyllithium / tetrahydrofuran / Ambient temperature; 1.) 1h, 2.) 2h

3: 67 percent / conc.HCl / ethanol / 2 h / Heating

4: 79 percent / Tl(NO₃)3*3H₂O / methanol / -25 °C

With hydrogenchloride; n-butyllithium; sodium hydride; thallium(III) nitrate; In tetrahydrofuran; methanol; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jo01295a010

Reference yield:

: 72796-26-0
(3,4-Dimethoxyphenoxy)methyl Ethyl Ether

: 72796-36-2
2-Methyl-3,4,4-trimethoxycyclohexa-2,5-dienone

Guidance literature:: Multi-step reaction with 3 steps

1: 73 percent / 1.) n-butyllithium / tetrahydrofuran / Ambient temperature; 1.) 1h, 2.) 2h

2: 67 percent / conc.HCl / ethanol / 2 h / Heating

3: 79 percent / Tl(NO₃)3*3H₂O / methanol / -25 °C

With hydrogenchloride; n-butyllithium; thallium(III) nitrate; In tetrahydrofuran; methanol; ethanol;
DOI:10.1021/jo01295a010