4-[(4-Methylphenyl)methoxy]benzoate

Base Information

• Chemical Name: 4-[(4-Methylphenyl)methoxy]benzoate
• CAS No.: 56442-19-4
• Molecular Formula: C15H13O3^-
• Molecular Weight: 242.274
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID30971870
• Wikidata: Q82955524
• Mol file: 56442-19-4.mol

Synonyms:4-[(4-methylphenyl)methoxy]benzoate;DTXSID30971870

Chemical Property of 4-[(4-Methylphenyl)methoxy]benzoate

Chemical Property:

• Vapor Pressure: 1.98E-07mmHg at 25°C
• Melting Point: 212 °C
• Refractive Index: 1.597
• Boiling Point: 409.2 °C at 760 mmHg
• PKA: 4.43±0.10(Predicted)
• Flash Point: 154.2 °C
• PSA: 46.53000
• Density: 1.193g/cm³
• LogP: 3.27220
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 241.086469272
• Heavy Atom Count: 18
• Complexity: 255

Purity/Quality:

97% ^*data from raw suppliers

4-[(4-Methylbenzyl)oxy]benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)[O-]

Technology Process of 4-[(4-Methylphenyl)methoxy]benzoate

There total 10 articles about 4-[(4-Methylphenyl)methoxy]benzoate 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: 85.0%

4-Methylbenzyl bromide (104-81-4) + 4-hydroxy-benzoic acid (99-96-7) → 4-((4-methylbenzyl)oxy)benzoic acid (56442-19-4)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 12h; Reflux;

Reference yield: 79.0%

4-(4-Methyl-benzyloxy)-benzoic acid methyl ester (62290-48-6) → 4-((4-methylbenzyl)oxy)benzoic acid (56442-19-4)

Guidance literature:

4-(4-Methyl-benzyloxy)-benzoic acid methyl ester; With water; sodium hydroxide; In methanol; at 75 ℃; for 2h;

With hydrogenchloride; In water; pH=5;

DOI:10.1039/c5md00092k

Reference yield:

4-Methylbenzyl chloride (104-82-5) + methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) → 4-((4-methylbenzyl)oxy)benzoic acid (56442-19-4)

Guidance literature:

4-Methylbenzyl chloride; methyl 4-hydroxylbenzoate; With potassium carbonate; In acetonitrile; at 50 ℃; for 12h;

With lithium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃; for 6h;

DOI:10.1016/j.ejmech.2020.113106

upstream raw materials:

4-Methylbenzyl chloride

4-hydroxy-benzoic acid

4-ethoxycarbonylphenoxy-(4'-methylphenyl)-methane

Ethyl 4-hydroxybenzoate

Downstream raw materials:

p-(4'-Methylbenzyloxy)benzoylchlorid

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