4-Methoxy-3-propoxybenzoic acid

Base Information

• Chemical Name: 4-Methoxy-3-propoxybenzoic acid
• CAS No.: 5922-57-6
• Molecular Formula: C₁₁H₁₄O₄
• Molecular Weight: 210.23
• Hs Code.: 2918990090
• European Community (EC) Number: 629-956-2
• DSSTox Substance ID: DTXSID10371591
• Wikidata: Q82158966
• Mol file: 5922-57-6.mol

Synonyms:4-methoxy-3-propoxybenzoic acid;5922-57-6;Maybridge1_005104;Oprea1_380747;SCHEMBL7334285;HMS555P22;DTXSID10371591;MFCD00831063;AKOS000196212;PS-3174;4-methoxy-3-propoxybenzoic acid, AldrichCPR;CS-0206341

Chemical Property of 4-Methoxy-3-propoxybenzoic acid

Chemical Property:

• Vapor Pressure: 6.78E-05mmHg at 25°C
• Boiling Point: 330.2oC at 760 mmHg
• Flash Point: 125.4oC
• PSA: 55.76000
• Density: 1.148g/cm3
• LogP: 2.18220
• 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:

99% ^*data from raw suppliers

4-Methoxy-3-propoxybenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=C(C=CC(=C1)C(=O)O)OC

Technology Process of 4-Methoxy-3-propoxybenzoic acid

There total 2 articles about 4-Methoxy-3-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:

isovanillin (621-59-0) → 4-Methoxy-3-propoxy-benzoic acid (5922-57-6)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃, KI / dimethylformamide / 21 h / 65 °C

2: sulfamic acid, aq. AcOH, aq. NaClO₂ / 1 h / Ambient temperature

With sodium chlorite; aminosulfonic acid; potassium carbonate; acetic acid; potassium iodide; In N,N-dimethyl-formamide;

DOI:10.1021/jm00037a021

Reference yield:

4-methoxy-3-propoxy-benzaldehyde (5922-56-5) → 4-Methoxy-3-propoxy-benzoic acid (5922-57-6)

Guidance literature:

With sodium chlorite; aminosulfonic acid; acetic acid; for 1h; Ambient temperature;

DOI:10.1021/jm00037a021

Reference yield:

4-Methoxy-3-propoxy-benzoic acid (5922-57-6) → 4-Methoxy-3-propoxy-benzoyl chloride (144036-21-5)

Guidance literature:

With thionyl chloride; In N,N-dimethyl-formamide; toluene; for 5h; Heating;

DOI:10.1021/jm00037a021

upstream raw materials:

4-methoxy-3-propoxy-benzaldehyde

isovanillin

Downstream raw materials:

4-Methoxy-3-propoxy-benzoyl chloride

N-(3,5-dichloropyridin-4-yl)-4-methoxy-3-propoxybenzamide

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