Ethyl 4-(benzyloxy)benzoate

Base Information

• Chemical Name: Ethyl 4-(benzyloxy)benzoate
• CAS No.: 56441-55-5
• Molecular Formula: C16H16O3
• Molecular Weight: 256.301
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID70204997
• Nikkaji Number: J1.769.078G
• Wikidata: Q83078487
• ChEMBL ID: CHEMBL3278117
• Mol file: 56441-55-5.mol

Synonyms:BRL 10894;BRL-10894;ethyl 4-benzyloxybenzoate

Chemical Property of Ethyl 4-(benzyloxy)benzoate

Chemical Property:

• Appearance/Colour: Solid
• Vapor Pressure: 3.76E-06mmHg at 25°C
• Melting Point: 42-44 ºC
• Refractive Index: 1.559
• Boiling Point: 385.6 ºC at 760 mmHg
• Flash Point: 162.3 ºC
• PSA: 35.53000
• Density: 1.121 g/cm³
• LogP: 3.44230
• XLogP3: 3.6
• 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:

99% ^*data from raw suppliers

Ethyl4-(benzyloxy)benzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 23-24/25-39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 4-(benzyloxy)benzoate

There total 6 articles about Ethyl 4-(benzyloxy)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: 100.0%

Ethyl 4-hydroxybenzoate (120-47-8) + benzyl bromide (100-39-0) → ethyl 4-(benzyloxy)benzoate (56441-55-5)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide;

Reference yield: 92.5%

→ ethyl 4-(benzyloxy)benzoate (56441-55-5)

Guidance literature:

Reference yield: 88.0%

p-benzyloxybenzaldehyde (4397-53-9) + ethanol (64-17-5) → ethyl 4-(benzyloxy)benzoate (56441-55-5)

Guidance literature:

With perchloric acid; sodium percarbonate; vanadia; for 5.5h; Cooling;

DOI:10.1021/jo0266902

upstream raw materials:

Ethyl 4-hydroxybenzoate

benzyl chloride

benzyl bromide

p-benzyloxybenzaldehyde

Downstream raw materials:

p-(benzyloxy)benzoic acid

2-[5-(4-Benzyloxy-phenyl)-[1,2,4]oxadiazol-3-yl]-N-[2-(3,4-dimethoxy-phenyl)-ethyl]-acetamide

2-[5-(4-Benzyloxy-phenyl)-[1,2,4]oxadiazol-3-yl]-N-[2-(3,4-diethoxy-phenyl)-ethyl]-acetamide

4-benzyloxyphenylhydrazide