4-Propoxybenzoic acid

Base Information

• Chemical Name: 4-Propoxybenzoic acid
• CAS No.: 5438-19-7
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 29189900
• European Community (EC) Number: 611-129-2
• NSC Number: 16632
• DSSTox Substance ID: DTXSID10202750
• Nikkaji Number: J26.909C
• Wikidata: Q72502500
• Metabolomics Workbench ID: 122302
• ChEMBL ID: CHEMBL112328
• Mol file: 5438-19-7.mol

Synonyms:4-Propoxybenzoic acid;5438-19-7;p-Propoxybenzoic acid;4-n-Propoxybenzoic acid;Benzoic acid, 4-propoxy-;4-Propoxy-benzoic acid;Benzoic acid, p-propoxy-;MFCD00013989;4-n-Propyloxybenzoic acid;p-Propyloxybenzoic acid;4-propoxy benzoic acid;p-carboxyphenoxy propane;p-n-Propoxybenzoic acid;Enamine_004326;p-(n-Propoxy)benzoic acid;4-(n-Propyloxy)benzoic acid;MLS000776293;4-Propoxybenzoic acid, 98%;SCHEMBL175191;CHEMBL112328;DTXSID10202750;HMS1406E14;HMS2762C03;NSC16632;BBL034232;NSC 16632;NSC-16632;STK397538;AKOS000114308;NCGC00246150-01;AS-50196;SMR000371296;SY015135;AM20060666;BB 0244132;FT-0635709;P0206;EN300-17041;O11281;Z56862795

Chemical Property of 4-Propoxybenzoic acid

Chemical Property:

• Appearance/Colour: White to light yellow crystal powder
• Vapor Pressure: 0.000372mmHg at 25°C
• Melting Point: 144-146 °C(lit.)
• Refractive Index: 1.5160 (estimate)
• Boiling Point: 304.9 °C at 760 mmHg
• PKA: pK1:4.78 (20°C)
• Flash Point: 119.3 °C
• PSA: 46.53000
• Density: 1.133 g/cm³
• LogP: 2.17360
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: almost transparency in hot Methanol
• Water Solubility.: insoluble
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

98% ^*data from raw suppliers

4-Propoxybenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-25-24-37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC1=CC=C(C=C1)C(=O)O
• Uses: Intermediates of Liquid Crystals

Technology Process of 4-Propoxybenzoic acid

There total 26 articles about 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: 89.0%

4-propoxybenzaldehyde (5736-85-6) → 4-propoxybenzoic acid (5438-19-7)

Guidance literature:

4-propoxybenzaldehyde; In water; acetonitrile; at 5 ℃; for 0.25h;

With potassium permanganate; In water; acetonitrile; at 20 ℃; for 2h;

DOI:10.1016/j.ejmech.2020.112835

Reference yield: 82.0%

4-allyloxybenzoic acid (27914-60-9) → 4-propoxybenzoic acid (5438-19-7) + 4-hydroxy-benzoic acid (99-96-7)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; for 10h;

DOI:10.1016/j.tet.2004.05.097

Reference yield: 80.0%

4-hydroxy-benzoic acid (99-96-7) → 4-propoxybenzoic acid (5438-19-7)

Guidance literature:

With potassium hydroxide; In ethanol; Heating;

upstream raw materials:

propan-1-ol

propoxybenzene

carbamic chloride

4-propoxy-benzoic acid ethyl ester

Downstream raw materials:

methyl 4-propoxy benzoate

p-propoxybenzoyl chloride

4-Propoxy-N-[3-(1H-tetrazol-5-yl)-2,3-dihydro-benzo[1,4]dioxin-5-yl]-benzamide

4-(p-n-propyloxybenzoyloxy)salicylaldehyde

Refernces

• 1、 Shah, Priyanka,Soni, Rina,Soman, Shubhangi S. "Synthesis and mesomorphic properties of bis ester derivatives of coumarin containing chalcone linkage". . . Retrieved 2021/05/04.
• 2、 Bhalodiya, Pradip C.,Patel, Hemant N.,Parmar, Tejasvi H.,Sangani, Chetan B.,Rajani, Dhanji P.. "Novel ester derivative of cinnamates with different long alkoxy chain: synthesis, mesomorphic properties, biological evaluation". . p. 1 - 25. Retrieved 2021/07/07.