Methyl 5-acetyl-2-(benzyloxy)benzoate

Base Information

• Chemical Name: Methyl 5-acetyl-2-(benzyloxy)benzoate
• CAS No.: 27475-09-8
• Molecular Formula: C17H16O4
• Molecular Weight: 284.312
• Hs Code.: 2918990090
• European Community (EC) Number: 608-103-8
• UNII: S6D36MW93E
• DSSTox Substance ID: DTXSID00494708
• Wikidata: Q82342279
• Mol file: 27475-09-8.mol

Synonyms:Methyl 5-acetyl-2-(benzyloxy)benzoate;27475-09-8;methyl 5-acetyl-2-phenylmethoxybenzoate;2-benzyloxy-5-acetylbenzoic acid methyl ester;methyl5-acetyl-2-(benzyloxy)benzoate;SCHEMBL131382;Benzoic acid,5-acetyl-2-(phenylmethoxy)-,methyl ester;S6D36MW93E;DTXSID00494708;CCBVZNHYLQHOLD-UHFFFAOYSA-N;CS-M1166;MFCD00075778;AKOS022173487;Methyl 5-Acetyl-2-(Benzyl-Oxy)Benzoate;AS-19734;2-BENZYL-5-ACETYL METHYL SALICYLATE;FT-0724238;5-Acetyl-2-benzyloxybenzoic acid methyl ester;A913295

Chemical Property of Methyl 5-acetyl-2-(benzyloxy)benzoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 443.482oC at 760 mmHg
• Flash Point: 196.816oC
• PSA: 52.60000
• Density: 1.167g/cm3
• LogP: 3.25480
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 284.10485899
• Heavy Atom Count: 21
• Complexity: 360

Purity/Quality:

99% ^*data from raw suppliers

Methyl5-Acetyl-2-(benzyloxy)benzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Methyl 5-acetyl-2-(benzyloxy)benzoate

There total 5 articles about Methyl 5-acetyl-2-(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%

estere metilico dell'acido 5-acetilsalicilico (16475-90-4) + benzyl bromide (100-39-0) → 5-acetyl-2-benzyloxybenzoic acid methyl ester (27475-09-8)

Guidance literature:

With potassium carbonate; In acetonitrile; at 85 ℃; for 9h;

Reference yield: 100.0%

benzyl bromide (100-39-0) → 5-acetyl-2-benzyloxybenzoic acid methyl ester (27475-09-8)

Guidance literature:

estere metilico dell'acido 5-acetilsalicilico; With potassium carbonate; In acetonitrile; for 0.166667h;

benzyl bromide; In methanol; at 85 ℃; for 9.25h;

Reference yield: 98.5%

estere metilico dell'acido 5-acetilsalicilico (16475-90-4) + benzyl chloride (100-44-7) → 5-acetyl-2-benzyloxybenzoic acid methyl ester (27475-09-8)

Guidance literature:

With potassium carbonate; potassium iodide; In N,N-dimethyl-formamide; at 50 - 65 ℃; for 2h;

upstream raw materials:

estere metilico dell'acido 5-acetilsalicilico

benzyl chloride

benzyl bromide

butanone

Downstream raw materials:

α¹-[[(1,1-dimethylethyl)amino]methyl]-4-(benzyloxy)-1,3-benzenedimethanol

methyl 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-2-(benzyloxy) benzoate

2-tert-butylamino-1-(4-hydroxy-2-hydroxymethyl-phenyl)ethanol

benzyl chloride

Refernces

• 1、 Teschers, Charlotte S.,Daniliuc, Constantin G.,Kehr, Gerald,Gilmour, Ryan. "Conformational control enabled by the fluorine gauche effect in a model of the β2-AR agonist salbutamol (Ventolin)". . p. 1 - 5. Retrieved 2018/03/13.
• 2、 Jacobsen, John R.,Choi, Seok Ki,Combs, Jesse,Fournier, Eric J.L.,Klein, Uwe,Pfeiffer, Juergen W.,Thomas, G. Roger,Yu, Cecile,Moran, Edmund J.. "A multivalent approach to the discovery of long-acting β2- adrenoceptor agonists for the treatment of asthma and COPD". scheme or table. p. 1213 - 1218. Retrieved 2012/03/11.