Benzene, 1,2-dimethoxy-4-pentyl-

Base Information

• Chemical Name: Benzene, 1,2-dimethoxy-4-pentyl-
• CAS No.: 128349-87-1
• Molecular Formula: C13H20O2
• Molecular Weight: 208.301
• DSSTox Substance ID: DTXSID20472169
• Nikkaji Number: J1.010.738E
• Wikidata: Q82300962
• Mol file: 128349-87-1.mol

Synonyms:128349-87-1;Benzene, 1,2-dimethoxy-4-pentyl-;SCHEMBL3872175;4-Pentyl-1,2-dimethoxy benzene;DTXSID20472169

Chemical Property of Benzene, 1,2-dimethoxy-4-pentyl-

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 208.146329876
• Heavy Atom Count: 15
• Complexity: 159

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC1=CC(=C(C=C1)OC)OC

Technology Process of Benzene, 1,2-dimethoxy-4-pentyl-

There total 10 articles about Benzene, 1,2-dimethoxy-4-pentyl- 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: 83.0%

1-(3,4-dimethoxy-phenyl)-pentan-1-ol (68719-71-1) → 1,2-dimethoxy-4-pentylbenzene (128349-87-1)

Guidance literature:

With sodium tetrahydroborate; trifluoroacetic acid; In tetrahydrofuran; at 25 ℃; for 1h;

Reference yield: 72.0%

1,2-dimethoxybenzene (91-16-7) + n-pentyl phenyl selenide (63017-66-3) → 1,2-dimethoxy-4-pentylbenzene (128349-87-1)

Guidance literature:

With 9,10-dimethoxyanthracene; In acetonitrile; at 20 ℃; Inert atmosphere; Irradiation;

DOI:10.1039/c7cc07529d

Reference yield: 65.0%

[1-(3,4-Dimethoxy-phenyl)-meth-(E)-ylidene]-((2S,3S)-2,3-diphenyl-aziridin-1-yl)-amine + n-butyllithium (109-72-8,29786-93-4) → 1,2-dimethoxy-4-pentylbenzene (128349-87-1)

Guidance literature:

In diethyl ether; hexane; pentane; at -78 - 20 ℃;

DOI:10.1002/adsc.200505110

upstream raw materials:

4-pentyl-pyrocatechol

dimethyl sulfate

1-(3,4-dimethoxy-phenyl)-pentan-1-ol

n-butyllithium

Downstream raw materials:

4-(4,5-dimethoxy-2-pentyl-phenyl)-4-oxo-butyric acid

4-pentyl-pyrocatechol