1,2,3-Trimethoxy-5-pentylbenzene

Base Information

• Chemical Name: 1,2,3-Trimethoxy-5-pentylbenzene
• CAS No.: 114085-79-9
• Molecular Formula: C14H22O3
• Molecular Weight: 238.327
• DSSTox Substance ID: DTXSID40551925
• Nikkaji Number: J337.630C
• Wikidata: Q82431830
• Mol file: 114085-79-9.mol

Synonyms:114085-79-9;1,2,3-TRIMETHOXY-5-PENTYLBENZENE;SCHEMBL5514786;DTXSID40551925;5-Pentyl-1,2,3-trimethoxy benzene

Chemical Property of 1,2,3-Trimethoxy-5-pentylbenzene

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 238.15689456
• Heavy Atom Count: 17
• Complexity: 182

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2,3-Trimethoxy-5-pentylbenzene

There total 6 articles about 1,2,3-Trimethoxy-5-pentylbenzene 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:

1-(3,4,5-trimethoxyphenyl)pentan-1-one (114085-80-2) → 1-n-pentyl-3,4,5-trimethoxybenzene (114085-79-9)

Guidance literature:

With potassium hydroxide; hydrazine; Yield given. Multistep reaction; 1.) EtOH, reflux, 5 h; 2.) 180 deg C, 1 h;

DOI:10.1039/c39870001549

Reference yield:

[1-(3,4,5-Trimethoxy-phenyl)-pent-(Z)-ylidene]-hydrazine → 1-n-pentyl-3,4,5-trimethoxybenzene (114085-79-9)

Guidance literature:

With potassium hydroxide; at 180 ℃; for 1h; Yield given;

DOI:10.1055/s-1989-27135

Reference yield:

3,4,5-Trimethoxybenzoyl chloride (4521-61-3) → 1-n-pentyl-3,4,5-trimethoxybenzene (114085-79-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) ZnCl₂ / 1.) Et₂O, reflux, 3 h, 2.) benzene, r.t., overnight

2: 98percent hydrazine hydrate / ethanol / 5 h / Heating

3: KOH / 1 h / 180 °C

With potassium hydroxide; hydrazine hydrate; zinc(II) chloride; In ethanol;

DOI:10.1055/s-1989-27135

upstream raw materials:

1-(3,4,5-trimethoxyphenyl)pentan-1-one

3,4,5-Trimethoxybenzoyl chloride

Eudesmic acid

Downstream raw materials:

1,3-Dimethoxy-2-butyl-5-pentylbenzene

3-benzoyloxy-2,4-dimethoxy-6-pentyl-benzoic acid

2,3,4-trihydroxy-6-pentyl-benzaldehyde

Ramalinolsaeure

Refernces

• 1、 Azzena, Ugo,Denurra, Teresa,Melloni, Giovanni,Rassu, Gloria. "Regioselective 4-Demethoxylation of 1-n-Alkyl-3,4,5-trimethoxybenzenes: a Key Step in the Synthesis of Olivetol and its Homologues". . p. 1549 - 1550. Retrieved 2007/10/02.