3-Methoxy-4-propoxybenzoic acid

Base Information

• Chemical Name: 3-Methoxy-4-propoxybenzoic acid
• CAS No.: 3535-32-8
• Molecular Formula: C11H14O4
• Molecular Weight: 210.23
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID50368167
• Wikidata: Q82154524
• Mol file: 3535-32-8.mol

Synonyms:3-methoxy-4-propoxybenzoic acid;3535-32-8;3-methoxy-4-propoxy-benzoic Acid;3-Methoxy-4-propoxybenzoicacid;3-METHOXY-4-PROPOXY-BENZOICACID;SCHEMBL177336;DTXSID50368167;BBL015342;MFCD03658025;STK501681;AKOS000200326;VS-04919;FT-0679456;EN300-04044;Z56858201

Chemical Property of 3-Methoxy-4-propoxybenzoic acid

Chemical Property:

• Vapor Pressure: 6.78E-05mmHg at 25°C
• Boiling Point: 330.2 °C at 760 mmHg
• Flash Point: 125.4 °C
• PSA: 55.76000
• Density: 1.148 g/cm³
• LogP: 2.18220
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 210.08920892
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

98%min ^*data from raw suppliers

3-Methoxy-4-propoxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=C(C=C(C=C1)C(=O)O)OC
• Uses: 3-Methoxy-4-propoxybenzoic acid

Technology Process of 3-Methoxy-4-propoxybenzoic acid

There total 7 articles about 3-Methoxy-4-propoxybenzoic 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: 100.0%

methyl 3-methoxy-4-propoxybenzoate (3535-26-0) → 4-n-propoxy-3-methoxybenzoic acid (3535-32-8)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran; water; at 60 ℃; for 2h;

DOI:10.1021/acsmedchemlett.7b00429

Reference yield:

3-methoxy-4-n-propoxybenzaldehyde (57695-98-4) → 4-n-propoxy-3-methoxybenzoic acid (3535-32-8)

Guidance literature:

With potassium permanganate;

DOI:10.1021/ja01608a066

Reference yield:

4-hydroxy-3-methoxybenzoic acid methyl ester (3943-74-6) → 4-n-propoxy-3-methoxybenzoic acid (3535-32-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 100 °C

2: lithium hydroxide / tetrahydrofuran; water / 2 h / 60 °C

With potassium carbonate; lithium hydroxide; In tetrahydrofuran; water; N,N-dimethyl-formamide;

DOI:10.1021/acsmedchemlett.7b00429

upstream raw materials:

3-methoxy-4-n-propoxybenzaldehyde

4-allyl-2-methoxy-1-propoxy-benzene

3-methoxy-4-hydroxybenzoic acid

propyl bromide

Downstream raw materials:

4-n-propoxy-3-methoxybenzoil chloride

2-methoxy-phenol

1-methoxy-2-n-propoxybenzene

Refernces

• 1、 Kasuga, Kazuyuki,Hatakeyama, Hyoe,Hatakeyama, Tatsuko. "Synthesis and thermal properties of cholesteryl 4-n-alkoxy-3-methoxybenzoates". . p. 1 - 14. Retrieved 2007/10/02.