1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxy-phenyl]-2-methyl-butan-1-one

Base Information

Chemical Name:1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxy-phenyl]-2-methyl-butan-1-one
CAS No.:72008-04-9
Molecular Formula:C₂₁H₃₀O₄
Molecular Weight:346.467
Hs Code.:
ChEMBL ID:CHEMBL3331100
DSSTox Substance ID:DTXSID101126828

Synonyms:CHEMBL3331100;72008-04-9;1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxy-phenyl]-2-methyl-butan-1-one;SCHEMBL24075662;DTXSID101126828;BDBM50528360;(E)-1-(3-(3,7-Dimethylocta-2,6-dien-1-yl)-2,4,6-trihydroxyphenyl)-2-methylbutan-1-one;1-[3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4,6-trihydroxyphenyl]-2-methyl-1-butanone

Suppliers and Price of 1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxy-phenyl]-2-methyl-butan-1-one

Supply Marketing:

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

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Chemical Property of 1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxy-phenyl]-2-methyl-butan-1-one

Chemical Property:

XLogP3:6.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:346.21440943
Heavy Atom Count:25
Complexity:490

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC(C)C(=O)C1=C(C=C(C(=C1O)CC=C(C)CCC=C(C)C)O)O
Isomeric SMILES:CCC(C)C(=O)C1=C(C=C(C(=C1O)C/C=C(\C)/CCC=C(C)C)O)O

Technology Process of 1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxy-phenyl]-2-methyl-butan-1-one

There total 4 articles about 1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxy-phenyl]-2-methyl-butan-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: 60.0%

: 6138-90-5
trans-geranyl bromide

: 125074-06-8,39652-80-7
2-methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone

: 72008-06-1,72008-04-9
(E)-1-(3-(3,7-dimethylocta-2,6-dien-1-yl)-2,4,6-trihydroxyphenyl)-2-methylbutan-1-one

Guidance literature:: With potassium carbonate; In acetone; for 24h; Reflux;
DOI:10.1016/j.ejmech.2014.08.017

Reference yield: 33.0%

: 106-24-1
Geraniol

: 125074-06-8,39652-80-7
2-methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone

: 72008-06-1,72008-04-9
(E)-1-(3-(3,7-dimethylocta-2,6-dien-1-yl)-2,4,6-trihydroxyphenyl)-2-methylbutan-1-one

Guidance literature:: With aluminum oxide; In ethyl acetate; for 24h; Reflux;

Reference yield:

: 108-73-6
3,5-dihydroxyphenol

: 72008-06-1,72008-04-9
(E)-1-(3-(3,7-dimethylocta-2,6-dien-1-yl)-2,4,6-trihydroxyphenyl)-2-methylbutan-1-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: aluminum (III) chloride / carbon disulfide; nitrobenzene / 1 h / 55 °C

1.2: 1 h / 55 °C

2.1: potassium carbonate / acetone / 24 h / Reflux

With aluminum (III) chloride; potassium carbonate; In carbon disulfide; nitrobenzene; acetone; 1.1: |Friedel-Crafts Acylation;
DOI:10.1016/j.ejmech.2014.08.017