2-hydroxy-5,6-dimethoxy-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione

Base Information

Chemical Name:2-hydroxy-5,6-dimethoxy-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione
CAS No.:17976-83-9
Molecular Formula:C₂₈H₄₆O₅
Molecular Weight:462.67
Hs Code.:
NSC Number:277818
DSSTox Substance ID:DTXSID00420401
Mol file:17976-83-9.mol

Synonyms:17976-83-9;NSC277818;2-hydroxy-5,6-dimethoxy-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione;NSC-277818;DTXSID00420401;OIPMOXXZKBWHKZ-OQKWZONESA-N;2,4-dione, 2-hydroxy-5,6-dimethoxy-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-;2,4-dione, 2-hydroxy-5,6-dimethoxy-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, [R-[R*,R*-(E)]]-

Suppliers and Price of 2-hydroxy-5,6-dimethoxy-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 2-hydroxy-5,6-dimethoxy-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione

Chemical Property:

Vapor Pressure:9.75E-16mmHg at 25°C
Boiling Point:577.4°C at 760 mmHg
Flash Point:178.5°C
PSA：72.83000
Density:1.02g/cm³
LogP:7.23020
XLogP3:9.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:16
Exact Mass:462.33452456
Heavy Atom Count:33
Complexity:741

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCCC(C)CCCC(C)CCCC(=CCC1=C(C(=O)C(=C(C1=O)OC)OC)O)C
Isomeric SMILES:CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC1=C(C(=O)C(=C(C1=O)OC)OC)O)/C

Technology Process of 2-hydroxy-5,6-dimethoxy-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione

There total 4 articles about 2-hydroxy-5,6-dimethoxy-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione 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:

: 5150-42-5
2,3-dimethoxyphenol

: 17976-83-9
5-Hydroxy-2,3-dimetoxy-6-phytyl-<1,4>benzochinon

Guidance literature:: Multi-step reaction with 4 steps

1: (i) 4-amino-benzenesulfonic acid, NaNO₂, aq. HCl, (ii) H₂, aq. HCl, Pd-C, EtOH, (iii) Na₂Cr₂O₇, aq. H₂SO₄

2: BF₃-Et₂O

3: aq. HCl / methanol / Heating

4: (i) BF₃-Et₂O, dioxane, (ii) O₂

With hydrogenchloride; boron trifluoride diethyl etherate; In methanol;
DOI:10.1021/jm00283a012