4-Butyloxy-3,5-dimethoxybenzoic acid

Base Information

• Chemical Name: 4-Butyloxy-3,5-dimethoxybenzoic acid
• CAS No.: 1147-84-8
• Molecular Formula: C13H18O5
• Molecular Weight: 254.283
• DSSTox Substance ID: DTXSID10440059
• Wikidata: Q82256234
• Mol file: 1147-84-8.mol

Synonyms:4-BUTOXY-3,5-DIMETHOXYBENZOIC ACID;4-butyloxy-3,5-dimethoxybenzoic acid;1147-84-8;benzoic acid,4-butoxy-3,5-dimethoxy-;SCHEMBL5026091;DTXSID10440059;OVEWGFZLBASBNE-UHFFFAOYSA-N;BAA14784;4-n-butoxy-3,5-dimethoxybenzoic acid;EN300-14472554;Z425843772

Chemical Property of 4-Butyloxy-3,5-dimethoxybenzoic acid

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 254.11542367
• Heavy Atom Count: 18
• Complexity: 242

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=C(C=C(C=C1OC)C(=O)O)OC

Technology Process of 4-Butyloxy-3,5-dimethoxybenzoic acid

There total 4 articles about 4-Butyloxy-3,5-dimethoxybenzoic acid 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:

methyl syringate (884-35-5) → 4-n-butoxy-3,5-dimethoxybenzoic acid (1147-84-8)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃; acetophenone / 18 h / 135 °C

2: KOH / methanol / 65 °C

With potassium hydroxide; potassium carbonate; acetophenone; In methanol;

DOI:10.1021/jm0011272

Reference yield:

3,4,5-trimethoxybenzoic acid methyl ester (1916-07-0) → 4-n-butoxy-3,5-dimethoxybenzoic acid (1147-84-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: aluminum (III) chloride / dichloromethane / 20 °C

2.1: potassium carbonate; potassium iodide / N,N-dimethyl-formamide / 24 h / 80 °C

3.1: potassium hydroxide; methanol / 2 h / 65 °C

3.2: pH 1

With methanol; aluminum (III) chloride; potassium carbonate; potassium iodide; potassium hydroxide; In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

1-bromo-butane (109-65-9) → 4-n-butoxy-3,5-dimethoxybenzoic acid (1147-84-8)

Guidance literature:

With ethanol;

upstream raw materials:

1-bromo-butane

methyl syringate

3,4,5-trimethoxybenzoic acid methyl ester

Downstream raw materials:

4-butoxy-3,5-dimethoxybenzoic acid chloride

4-n-Butoxy-3,5-dimethoxybenzoesaeure-(2-dimethylamino-aethylester)

Refernces

• 1、 -. "NOVEL BENZAMIDE DERIVATIVE AND USE THEREOF". . . Retrieved 2014/11/27.
• 2、 Sawyer, David A.,Beams, Richard M.,Blackwell, Geoffrey, J.,Brockwell, Michael A.,Cheesman, Neil J.,et al.. "Development of a Novel Series of Trialkoxyaryl Derivatives as Specific and Competitive Antagonists of Platelet Activating Factor". . p. 2130 - 2137. Retrieved 2007/10/02.