4-Methoxybenzyl phenylacetate

Base Information

• Chemical Name: 4-Methoxybenzyl phenylacetate
• CAS No.: 102-17-0
• Molecular Formula: C16H16 O3
• Molecular Weight: 256.301
• Hs Code.: 2916397700
• European Community (EC) Number: 203-010-5
• UNII: 7475820557
• DSSTox Substance ID: DTXSID5059246
• Nikkaji Number: J74.786F
• Wikidata: Q27231286
• Metabolomics Workbench ID: 46793
• Mol file: 102-17-0.mol

Synonyms:4-Methoxybenzyl phenylacetate;Anisyl phenylacetate;102-17-0;Benzeneacetic acid, (4-methoxyphenyl)methyl ester;p-Methoxybenzyl phenylacetate;(4-methoxyphenyl)methyl 2-phenylacetate;Anisyl alpha-toluate;Phenylacetic acid, p-methoxybenzyl ester;ACETIC ACID, PHENYL-, p-METHOXYBENZYL ESTER;FEMA No. 3740;(4-Methoxyphenyl)methyl benzeneacetate;p-Anisyl phenylacetate;EINECS 203-010-5;BRN 5045439;AI3-36547;UNII-7475820557;para-anisyl phenyl acetate;4-methoxybenzylphenylacetat;Anisyl phenylacetate, >=97%;SCHEMBL1171464;4 - methoxybenzyl phenylacetate;4-Methoxybenzyl phenylacetate #;DTXSID5059246;FEMA 3740;CHEBI:193411;ANISYL PHENYLACETATE [FHFI];4-Methoxybenzyl phenylacetate, 97%;ANISYL PHENYLACETATE [USP-RS];AKOS015913662;LS-2566;BENZYL ALCOHOL, P-METHOXY-, PHENYLACETATE;J-000637;Q27231286;Anisyl phenylacetate, United States Pharmacopeia (USP) Reference Standard

Chemical Property of 4-Methoxybenzyl phenylacetate

Chemical Property:

• Vapor Pressure: 8.13E-06mmHg at 25°C
• Refractive Index: n20/D 1.559
• Boiling Point: 374.8°Cat760mmHg
• Flash Point: 157.2°C
• PSA: 35.53000
• Density: 1.129g/cm³
• LogP: 2.98110
• Solubility.: organic solvents: soluble(lit.)
• Water Solubility.: 512.6mg/L(25 oC)
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 256.109944368
• Heavy Atom Count: 19
• Complexity: 263

Purity/Quality:

98%,99%, ^*data from raw suppliers

Anisyl phenylacetate ≥97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)COC(=O)CC2=CC=CC=C2

Technology Process of 4-Methoxybenzyl phenylacetate

There total 8 articles about 4-Methoxybenzyl phenylacetate 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: 97.0%

phenylacetic acid (103-82-2) + N,N'-diisopropyl-O-(4-methoxybenzyl)isourea (128472-97-9) → 4-methoxybenzyl 2-phenylacetate (102-17-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

DOI:10.1080/00397910008087040

Reference yield: 93.0%

phenylacetic acid (103-82-2) + 4-Methoxybenzyl alcohol (105-13-5) → 4-methoxybenzyl 2-phenylacetate (102-17-0)

Guidance literature:

phenylacetic acid; With 7,7-dichlorocyclohepta-1,3,5-triene; triethylamine; In dichloromethane; at 20 ℃; for 0.416667h; Inert atmosphere;

4-Methoxybenzyl alcohol; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1039/c4cc09539a

Reference yield: 57.0%

N,N,N--trimethyl--1--phenylmethanaminium trifluoromethanesulfonate (260783-80-0) + carbon monoxide (201230-82-2) + 4-Methoxybenzyl alcohol (105-13-5) → 4-methoxybenzyl 2-phenylacetate (102-17-0)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; sodium carbonate; triphenylphosphine; In toluene; at 100 ℃; for 12h; under 760.051 Torr; Schlenk technique;

DOI:10.1039/c8ob00488a

upstream raw materials:

phenylacetic p-methoxyphenylacetic anhydride

4-Methoxybenzyl alcohol

phenylacetyl chloride

phenylacetic acid

Downstream raw materials:

methoxybenzyl diazophenylacetate

C₂₄H₂₁N₃O₃

1,2-bis(4-methoxyphenyl)ethane

1-(4-methoxyphenyl)-2-phenylethane

Refernces

• 1、 Nguyen, Thanh V.,Lyons, Demelza J.M.. "A novel aromatic carbocation-based coupling reagent for esterification and amidation reactions". supporting information. p. 3131 - 3134. Retrieved 2015/06/17.
• 2、 Wang,Golding,Potter. "A convenient preparation of p-methoxybenzyl esters". . p. 4197 - 4204. Retrieved 2007/10/03.