4-Benzyloxyphenylacetic acid ethyl ester

Base Information

• Chemical Name: 4-Benzyloxyphenylacetic acid ethyl ester
• CAS No.: 56441-69-1
• Molecular Formula: C17H18 O3
• Molecular Weight: 270.328
• Hs Code.: 2916340000
• European Community (EC) Number: 671-424-7
• DSSTox Substance ID: DTXSID20372054
• Nikkaji Number: J474.156K
• Wikidata: Q72472959
• ChEMBL ID: CHEMBL3278144
• Mol file: 56441-69-1.mol

Synonyms:56441-69-1;4-Benzyloxyphenylacetic acid ethyl ester;Ethyl 2-(4-(benzyloxy)phenyl)acetate;ethyl 2-(4-phenylmethoxyphenyl)acetate;ethyl 4-(benzyloxy)phenylacetate;Ethyl 2-(4-benzyloxyphenyl)acetate;Ethyl 4-benzyloxyphenylacetate;Benzeneacetic acid, 4-(phenylmethoxy)-, ethyl ester;SCHEMBL1203178;CHEMBL3278144;DTXSID20372054;MMKJGLKGTNSPFJ-UHFFFAOYSA-N;Ethyl [4-(benzyloxy)phenyl]acetate;CK2068;Ethyl2-(4-(benzyloxy)phenyl)acetate;MFCD00026898;AKOS015995465;4-Benzyloxybenzeneacetic acid ethyl ester;AS-45862;CS-0361396;FT-0640390;A831050

Chemical Property of 4-Benzyloxyphenylacetic acid ethyl ester

Chemical Property:

• Vapor Pressure: 3.02E-06mmHg at 25°C
• Melting Point: 29-31°C
• Boiling Point: 174/0.1mm
• Flash Point: 164℃
• PSA: 35.53000
• Density: 1.110
• LogP: 3.37120
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 270.125594432
• Heavy Atom Count: 20
• Complexity: 276

Purity/Quality:

98% ^*data from raw suppliers

Ethyl2-(4-(benzyloxy)phenyl)acetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=CC=C(C=C1)OCC2=CC=CC=C2

Technology Process of 4-Benzyloxyphenylacetic acid ethyl ester

There total 5 articles about 4-Benzyloxyphenylacetic acid ethyl 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: 89.0%

(4-hydroxy-phenyl)-acetic acid ethyl ester (17138-28-2) + benzyl bromide (100-39-0) → 2-<4-(phenylmethoxy)phenyl>acetic acid ethyl ester (56441-69-1)

Guidance literature:

With sodium hydride; tetra-(n-butyl)ammonium iodide; In tetrahydrofuran; at 0 - 20 ℃; for 18h;

Reference yield: 68.0%

→ 2-<4-(phenylmethoxy)phenyl>acetic acid ethyl ester (56441-69-1)

Guidance literature:

Reference yield:

(4-hydroxy-phenyl)-acetic acid ethyl ester (17138-28-2) + benzyl chloride (100-44-7) → 2-<4-(phenylmethoxy)phenyl>acetic acid ethyl ester (56441-69-1)

Guidance literature:

With sodium ethanolate;

DOI:10.1021/jm00221a007

upstream raw materials:

ethanol

1-Benzyloxy-4-((Z)-2-methanesulfinyl-2-methylsulfanyl-vinyl)-benzene

(4-hydroxy-phenyl)-acetic acid ethyl ester

benzyl chloride

Downstream raw materials:

2-ethoxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

ethyl 2,3,3-tris(4-(benzyloxy)phenyl)propionate

trans-5-(4-((2-(1-(pyrimidin-2-yl)piperidin-4-yl)thiazol-4-yl)methoxy)phenyl)-1,3,2-dioxathiane 2-oxide

cis-5-(4-((2-(1-(pyrimidin-2-yl)piperidin-4-yl)thiazol-4-yl)methoxy)phenyl)-1,3,2-dioxathiane 2-oxide

Refernces

• 1、 -. "IMIDAZO(1,2-a)PYRIDINE DERIVATIVE". Page 83. . Retrieved 2010/02/09.
• 2、 Ma, Dawei,Sun, Haiying. "Total synthesis of (2S,3s,4R)-plakoridine A". . p. 1947 - 1950. Retrieved 2007/10/03.