4-Butoxy-3-methoxybenzoic acid

Base Information

• Chemical Name: 4-Butoxy-3-methoxybenzoic acid
• CAS No.: 3535-34-0
• Molecular Formula: C₁₂H₁₆O₄
• Molecular Weight: 224.257
• Hs Code.: 2918990090
• European Community (EC) Number: 655-526-9
• DSSTox Substance ID: DTXSID10367095
• Wikidata: Q82152709
• Mol file: 3535-34-0.mol

Synonyms:4-butoxy-3-methoxybenzoic acid;3535-34-0;4-butoxy-3-methoxy-benzoic Acid;4-Butoxy-3-methoxybenzoicacid;SCHEMBL1750327;DTXSID10367095;WCFJMRPLUAGPTG-UHFFFAOYSA-N;BBL014080;MFCD03949026;STK500980;AKOS000116659;VS-04165;CS-0206683;FT-0679458;EN300-04137;A874624;SR-01000293818;1H-Pyrazole-3-carboxylicacid, 5-(2-methylpropyl)-;SR-01000293818-1;Z56860298

Chemical Property of 4-Butoxy-3-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 2.56E-05mmHg at 25°C
• Boiling Point: 344.2 °C at 760 mmHg
• Flash Point: 128 °C
• PSA: 55.76000
• Density: 1.124 g/cm³
• LogP: 2.57230
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 224.10485899
• Heavy Atom Count: 16
• Complexity: 217

Purity/Quality:

98%min ^*data from raw suppliers

4-Butoxy-3-methoxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=C(C=C(C=C1)C(=O)O)OC

Technology Process of 4-Butoxy-3-methoxybenzoic acid

There total 4 articles about 4-Butoxy-3-methoxybenzoic 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:

4-butoxy-3-methoxybenzaldehyde (51301-87-2) → 4-n-butoxy-3-methoxybenzoic acid (3535-34-0)

Guidance literature:

With potassium permanganate;

DOI:10.1021/ja01608a066

Reference yield:

4-butoxy-3-methoxy-benzoic acid methyl ester (113628-75-4) → 4-n-butoxy-3-methoxybenzoic acid (3535-34-0)

Guidance literature:

4-butoxy-3-methoxy-benzoic acid methyl ester; With sodium hydroxide; In ethanol; at 20 ℃; for 3h;

With hydrogenchloride; water; In ethanol; pH=1;

DOI:10.1016/j.bmcl.2009.11.080

Reference yield:

1-bromo-butane (109-65-9) + 3-methoxy-4-hydroxybenzoic acid (121-34-6) → 4-n-butoxy-3-methoxybenzoic acid (3535-34-0)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 25h; Heating;

upstream raw materials:

4-butoxy-3-methoxybenzaldehyde

1-bromo-butane

3-methoxy-4-hydroxybenzoic acid

4-butoxy-3-methoxy-benzoic acid methyl ester

Downstream raw materials:

5-oxo-2,5-dihydrofuran-3-yl-4-butoxy-3-methoxybenzoate

4-n-butoxy-3-methoxybenzoil chloride

Refernces

• 1、 Pashkovskii,Shchukina,Gribovskii,Lakhvich. "Heterocyclic analogs of prostaglandines: IV. Synthesis of 3,7-interphenylene 3,10(11)-dioxa-13-azaprostanoids and 9-oxa-7-azaprostanoids based on tetronic acid and aromatic aldehydes". experimental part. p. 657 - 670. Retrieved 2009/04/07.
• 2、 Kasuga, Kazuyuki,Hatakeyama, Hyoe,Hatakeyama, Tatsuko. "Synthesis and thermal properties of cholesteryl 4-n-alkoxy-3-methoxybenzoates". . p. 1 - 14. Retrieved 2007/10/02.