4-Methoxyphenyl benzoate

Base Information

• Chemical Name: 4-Methoxyphenyl benzoate
• CAS No.: 1523-19-9
• Molecular Formula: C14H12 O3
• Molecular Weight: 228.247
• European Community (EC) Number: 662-814-8
• UNII: U6KN6JHF4W
• DSSTox Substance ID: DTXSID90934461
• Nikkaji Number: J604.231G
• Wikidata: Q27290754
• Mol file: 1523-19-9.mol

Synonyms:4-methoxyphenyl benzoate;1523-19-9;Phenol, 4-methoxy-, benzoate;p-methoxyphenyl benzoate;4-Methoxyphenol benzoate;(4-methoxyphenyl) benzoate;UNII-U6KN6JHF4W;U6KN6JHF4W;PHENOL, 4-METHOXY-, 1-BENZOATE;4-Benzoyloxyanisole;PARA-ANISYL BENZOATE;Phenol,4-methoxy-,benzoate;SCHEMBL1546266;DTXSID90934461;Benzoic acid 4-methoxyphenyl ester;Benzoic acid 4-methoxy-phenyl ester;benzoic acid (4-methoxyphenyl) ester;PHENOL, P-METHOXY-, BENZOATE;AKOS002953565;BENZOIC ACID, P-METHOXYPHENYL ESTER;AE-641/01171008;Q27290754

Chemical Property of 4-Methoxyphenyl benzoate

Chemical Property:

• Vapor Pressure: 3.29E-05mmHg at 25°C
• Boiling Point: 354.7°C at 760 mmHg
• Flash Point: 147.7°C
• PSA: 35.53000
• Density: 1.159g/cm³
• LogP: 2.91440
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 228.078644241
• Heavy Atom Count: 17
• Complexity: 238

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methoxyphenyl benzoate

There total 74 articles about 4-Methoxyphenyl 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: 98.0%

benzoyl chloride (98-88-4) + 4-methoxy-phenol (150-76-5) → 4-methoxyphenyl benzoate (1523-19-9)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 4h;

Reference yield: 98.0%

4-methoxy-phenol (150-76-5) + 2-benzoyl-4,5-dichloropyridazin-3(2H)-one (155164-66-2) → 4-methoxyphenyl benzoate (1523-19-9)

Guidance literature:

In tetrahydrofuran; at 150 ℃; for 0.0833333h; under 10336 Torr; Microwave irradiation;

DOI:10.1016/j.tet.2013.02.046

Reference yield: 96.0%

benzoyl fluoride (455-32-3) + 4-methoxy-phenol (150-76-5) + HSiPh3 (789-25-3) → 4-methoxyphenyl benzoate (1523-19-9) + triphenylsilyl fluoride (379-50-0)

Guidance literature:

With hydridotetakis(triphenylphosphine)rhodium(I); 1,2-bis-(diphenylphosphino)ethane; In chlorobenzene; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1016/j.tet.2011.07.031

upstream raw materials:

4-Methoxybenzophenone

benzoyl chloride

4-methoxy-phenol

4-methoxyphenyl benzyl ether

Downstream raw materials:

3-chloro-4-methoxyphenyl benzoate

N-phenyl benzoyl amide

α-(4-methoxyphenoxy)styrene

oxybenzone

Refernces

• 1、 Hisada et al.. "-". . p. 2902,2906. Retrieved 1972.
• 2、 Brittain, William D. G.,Cobb, Steven L.. "Carboxylic Acid Deoxyfluorination and One-Pot Amide Bond Formation Using Pentafluoropyridine (PFP)". supporting information. p. 5793 - 5798. Retrieved 2021/08/01.
• 3、 Adebomi, Victor,Sriram, Mahesh,Streety, Xavier,Raj, Monika. "Metal-Free Selective Modification of Secondary Amides: Application in Late-Stage Diversification of Peptides". supporting information. p. 6189 - 6193. Retrieved 2021/08/01.