Acetic acid, phenoxy-, 4-methoxyphenyl ester

Base Information

• Chemical Name: Acetic acid, phenoxy-, 4-methoxyphenyl ester
• CAS No.: 112445-76-8
• Molecular Formula: C15H14O4
• Molecular Weight: 258.274
• DSSTox Substance ID: DTXSID90352106
• Nikkaji Number: J3.572.657H
• Wikidata: Q82129085
• Mol file: 112445-76-8.mol

Synonyms:Acetic acid, phenoxy-, 4-methoxyphenyl ester;112445-76-8;4-methoxyphenyl phenoxyacetate;Oprea1_441833;Oprea1_695423;SCHEMBL24844739;DTXSID90352106;STK122905;AKOS000494427;SR-01000266318;SR-01000266318-1

Chemical Property of Acetic acid, phenoxy-, 4-methoxyphenyl ester

Chemical Property:

• Melting Point: 92-93 °C(Solv: ethanol (64-17-5))
• Boiling Point: 407.9±30.0 °C(Predicted)
• PSA: 44.76000
• Density: 1.176±0.06 g/cm3(Predicted)
• LogP: 2.67960
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 258.08920892
• Heavy Atom Count: 19
• Complexity: 265

Purity/Quality:

99.90% ^*data from raw suppliers

4-methoxyphenylphenoxyacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)OC(=O)COC2=CC=CC=C2

Technology Process of Acetic acid, phenoxy-, 4-methoxyphenyl ester

There total 2 articles about Acetic acid, phenoxy-, 4-methoxyphenyl ester 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:

1-(4-methoxy-phenyl)-2-phenoxy-ethanone (19513-78-1) → phenoxymethyl 4-methoxybenzoate + 4-methoxyphenyl 2-phenoxyacetate (112445-76-8)

Guidance literature:

With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 25 ℃; for 15h; Reagent/catalyst; Solvent; Temperature; Green chemistry;

DOI:10.1039/c7gc00844a

Reference yield:

C26H22O3P(1+)*ClO4(1-) + 4-methoxy-phenol (150-76-5) → 4-methoxyphenyl 2-phenoxyacetate (112445-76-8)

Guidance literature:

With triethylamine; In dichloromethane; for 0.5h; Yield given; Ambient temperature;

DOI:10.1016/S0040-4020(01)87066-6

Reference yield:

4-methoxyphenyl 2-phenoxyacetate (112445-76-8) + benzyl alcohol (100-51-6,185532-71-2) → phenoxyacetic acid benzyl ester (56015-90-8) + 4-methoxy-phenol (150-76-5)

Guidance literature:

With potassium carbonate; at 45 ℃; for 1.5h;

DOI:10.1039/c7gc00844a

upstream raw materials:

4-methoxy-phenol

1-(4-methoxy-phenyl)-2-phenoxy-ethanone

Downstream raw materials:

phenoxyacetic acid benzyl ester

4-methoxy-phenol

methyl 2-phenoxyacetate

phenoxyacetic acid ethyl ester