1-(2,4,5-Trimethoxyphenyl)hexan-1-one

Base Information

• Chemical Name: 1-(2,4,5-Trimethoxyphenyl)hexan-1-one
• CAS No.: 90834-06-3
• Molecular Formula: C15H22O4
• Molecular Weight: 266.33300
• DSSTox Substance ID: DTXSID80548652
• Nikkaji Number: J1.579.519K
• Wikidata: Q82427418
• Mol file: 90834-06-3.mol

Synonyms:1-(2,4,5-TRIMETHOXYPHENYL)HEXAN-1-ONE;90834-06-3;DTXSID80548652

Chemical Property of 1-(2,4,5-Trimethoxyphenyl)hexan-1-one

Chemical Property:

• PSA: 44.76000
• LogP: 3.47540
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 266.15180918
• Heavy Atom Count: 19
• Complexity: 267

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=O)C1=CC(=C(C=C1OC)OC)OC

Technology Process of 1-(2,4,5-Trimethoxyphenyl)hexan-1-one

There total 1 articles about 1-(2,4,5-Trimethoxyphenyl)hexan-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: 65.0%

n-hexanoic anhydride (2051-49-2) + 1,2,4-trimethoxy-benzene (135-77-3) → 1-(2,4,5-trimethoxyphenyl)-1-hexanone (90834-06-3)

Guidance literature:

aluminium trichloride; In dichloromethane; at 60 ℃; for 1h;

Reference yield:

1-(2,4,5-trimethoxyphenyl)-1-hexanone (90834-06-3) → α-bromo-2,4,5-trimethoxycaprophenone (90834-09-6)

Guidance literature:

With bromine; In acetic acid; at 25 ℃; for 0.666667h;

DOI:10.1515/HC.2003.9.4.367

Reference yield:

1-(2,4,5-trimethoxyphenyl)-1-hexanone (90834-06-3) → 5-methyl-3-propyl-2-(2,4,5-trimethoxybenzyl)indole

Guidance literature:

Multi-step reaction with 2 steps

1: bromine / acetic acid / 0.67 h / 25 °C

2: p-toluidine / 1 h / Heating

With bromine; p-toluidine; In acetic acid;

DOI:10.1515/HC.2003.9.4.367

upstream raw materials:

n-hexanoic anhydride

1,2,4-trimethoxy-benzene

Downstream raw materials:

α-bromo-2,4,5-trimethoxycaprophenone