Methyl 4-[(4-methylphenyl)methoxy]benzoate

Base Information

• Chemical Name: Methyl 4-[(4-methylphenyl)methoxy]benzoate
• CAS No.: 62290-48-6
• Molecular Formula: C16H16 O3
• Molecular Weight: 256.301
• DSSTox Substance ID: DTXSID30363397
• Wikidata: Q82147068

Synonyms:62290-48-6;methyl 4-[(4-methylphenyl)methoxy]benzoate;Methyl 4-((4-methylbenzyl)oxy)benzoate;methyl 4-[(4-methylbenzyl)oxy]benzenecarboxylate;methyl 4-[(4-methylbenzyl)oxy]benzoate;Benzoic acid, 4-[(4-methylphenyl)methoxy]-, methyl ester;METHYL4-BENZYLOXYBENZOATE;DTXSID30363397;MFCD01568711;STL481282;AKOS005071269;Methyl4-((4-methylbenzyl)oxy)benzoate;CS-0326845;FT-0680731;9N-051;Methyl 4-(4-methyl-benzyloxy)benzenecarboxylate;4-(4-Methyl-benzyloxy)-benzoic acid methyl ester;J-522215

Chemical Property of Methyl 4-[(4-methylphenyl)methoxy]benzoate

Chemical Property:

• Vapor Pressure: 3.26E-06mmHg at 25°C
• Melting Point: 97-99°
• Boiling Point: 387.6°C at 760 mmHg
• Flash Point: 163.3°C
• PSA: 35.53000
• Density: 1.122g/cm³
• LogP: 3.36060
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 256.109944368
• Heavy Atom Count: 19
• Complexity: 274

Purity/Quality:

98%min ^*data from raw suppliers

Methyl 4-[(4-methylbenzyl)oxy]benzenecarboxylate >95% ^*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)OC

Technology Process of Methyl 4-[(4-methylphenyl)methoxy]benzoate

There total 2 articles about Methyl 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: 64.0%

methyl 4-hydroxylbenzoate (99-76-3,156291-94-0) + 4-methylbenzyl 2,2,2-trichloroethanimidoate → 4-(4-Methyl-benzyloxy)-benzoic acid methyl ester (62290-48-6)

Guidance literature:

With zinc trifluoromethanesulfonate; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1246/CL.200303

Reference yield:

4-Methylbenzyl alcohol (589-18-4) → 4-(4-Methyl-benzyloxy)-benzoic acid methyl ester (62290-48-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene / hexane / 1 h / 0 °C / Inert atmosphere

2: zinc trifluoromethanesulfonate / dichloromethane / 24 h / 20 °C

With zinc trifluoromethanesulfonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; In hexane; dichloromethane;

DOI:10.1246/CL.200303

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

upstream raw materials:

methyl 4-hydroxylbenzoate

4-Methylbenzyl alcohol

Downstream raw materials:

[4-(4-Methyl-benzyloxy)-phenyl]-methanol

4-(4-methylbenzyloxy)benzyl chloride

4-((4-methylbenzyl)oxy)benzoic acid

p-(4'-Methylbenzyloxy)benzoylchlorid

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