3,4-Dimethoxy-beta-methyl-2-propylbenzenebutanoic acid

Base Information

Chemical Name:3,4-Dimethoxy-beta-methyl-2-propylbenzenebutanoic acid
CAS No.:213971-36-9
Molecular Formula:C₁₆H₂₄O₄
Molecular Weight:280.364
Hs Code.:
DSSTox Substance ID:DTXSID701223414

Synonyms:SCHEMBL7187920;GBYYJKNCLBJQAI-UHFFFAOYSA-N;DTXSID701223414;3,4-Dimethoxy-beta-methyl-2-propylbenzenebutanoic acid;4-[3,4-Dimethoxy-2-n-propylphenyl]-3-methylbutanoicAcid;213971-36-9

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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-Dimethoxy-beta-methyl-2-propylbenzenebutanoic acid

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:280.16745924
Heavy Atom Count:20
Complexity:292

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCC1=C(C=CC(=C1OC)OC)CC(C)CC(=O)O

Technology Process of 3,4-Dimethoxy-beta-methyl-2-propylbenzenebutanoic acid

There total 5 articles about 3,4-Dimethoxy-beta-methyl-2-propylbenzenebutanoic 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: 85.0%

: 213971-55-2
(E)-4-(3,4-Dimethoxy-2-propyl-phenyl)-4-hydroxy-3-methyl-but-2-enoic acid

: 213971-36-9
4-[3,4-Dimethoxy-2-n-propylphenyl]-3-methylbutanoicAcid

Guidance literature:: With hydrogen; palladium on activated charcoal; In acetic acid; at 60 ℃; for 24h; under 3102.9 Torr;
DOI:10.1021/jm980334n

Reference yield:

: 74-96-4
ethyl bromide

: 3-methyl-4-oxobut-2-enoate

: 142601-49-8
1-bromo-3,4-dimethoxy-2-propylbenzene

: 213971-36-9
4-[3,4-Dimethoxy-2-n-propylphenyl]-3-methylbutanoicAcid

Guidance literature:: With hydrogenchloride; potassium hydroxide; hydrogen; magnesium; palladium; In tetrahydrofuran; ethanol; water; acetic acid;

Reference yield:

: 41891-38-7
3-formyl crotonic acid ethyl ester

: 213971-36-9
4-[3,4-Dimethoxy-2-n-propylphenyl]-3-methylbutanoicAcid

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) ethyl bromide, magnesium / 1.) THF, reflux, 1 h, 2.) THF, RT, 1 h

2: aq. KOH / ethanol / 3 h / Heating

3: 85 percent / H₂ / 10percent Pd/C / acetic acid / 24 h / 60 °C / 3102.9 Torr

With potassium hydroxide; ethyl bromide; hydrogen; magnesium; palladium on activated charcoal; In ethanol; acetic acid;
DOI:10.1021/jm980334n