[2-[(2-Ethoxy-2-oxoethyl)amino]-2-oxoethyl] 2-acetyloxybenzoate

Base Information

• Chemical Name: [2-[(2-Ethoxy-2-oxoethyl)amino]-2-oxoethyl] 2-acetyloxybenzoate
• CAS No.: 118247-03-3
• Molecular Formula: C₁₅H₁₇NO₇
• Molecular Weight: 323.302
• ChEMBL ID: CHEMBL162928
• DSSTox Substance ID: DTXSID60872200
• Nikkaji Number: J1.561.175H
• Mol file: 118247-03-3.mol

Synonyms:118247-03-3;CHEMBL162928;DTXSID60872200;2-[(2-Ethoxy-2-oxoethyl)amino]-2-oxoethyl 2-(acetyloxy)benzoate

Chemical Property of [2-[(2-Ethoxy-2-oxoethyl)amino]-2-oxoethyl] 2-acetyloxybenzoate

Chemical Property:

• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 323.10050188
• Heavy Atom Count: 23
• Complexity: 449

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CNC(=O)COC(=O)C1=CC=CC=C1OC(=O)C

Technology Process of [2-[(2-Ethoxy-2-oxoethyl)amino]-2-oxoethyl] 2-acetyloxybenzoate

There total 1 articles about [2-[(2-Ethoxy-2-oxoethyl)amino]-2-oxoethyl] 2-acetyloxybenzoate 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:

N-(chloroacetyl)glycine ethyl ester (41602-50-0) + aspirin (50-78-2,98201-60-6) → 2-Acetoxy-benzoic acid (ethoxycarbonylmethyl-carbamoyl)-methyl ester (118247-03-3)

Guidance literature:

With triethylamine; sodium iodide; In ethyl acetate; for 3h; Yield given; Heating;

DOI:10.1021/jm00123a040

Reference yield:

2-Acetoxy-benzoic acid (ethoxycarbonylmethyl-carbamoyl)-methyl ester (118247-03-3) → 2-Hydroxy-benzoic acid (ethoxycarbonylmethyl-carbamoyl)-methyl ester

Guidance literature:

With 10 percent human plasma; In acetonitrile; at 37 ℃; Rate constant; phosphate buffer (pH 7.4);

DOI:10.1021/jm00123a040

upstream raw materials:

N-(chloroacetyl)glycine ethyl ester

aspirin