Benzeneacetic acid, 4-(2-(diethylamino)-2-oxoethoxy)-3-ethoxy-, propyl ester

Base Information

• Chemical Name: Benzeneacetic acid, 4-(2-(diethylamino)-2-oxoethoxy)-3-ethoxy-, propyl ester
• CAS No.: 579494-66-9
• Molecular Formula: C19H29NO5
• Molecular Weight: 351.443
• European Community (EC) Number: 682-455-0
• UNII: 372AB76LQL
• DSSTox Substance ID: DTXSID601339521
• Wikidata: Q27256612
• Metabolomics Workbench ID: 153542
• ChEMBL ID: CHEMBL3354350
• Mol file: 579494-66-9.mol

Synonyms:(4-((N,N-diethylcarbamoyl)methoxy)-3-ethoxyphenyl)acetic acid propyl ester;AZD-3043

Chemical Property of Benzeneacetic acid, 4-(2-(diethylamino)-2-oxoethoxy)-3-ethoxy-, propyl ester

Chemical Property:

• Boiling Point: 471.9±40.0 °C(Predicted)
• PKA: -0.86±0.70(Predicted)
• PSA: 65.07000
• Density: 1.075±0.06 g/cm3(Predicted)
• LogP: 2.82820
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 351.20457303
• Heavy Atom Count: 25
• Complexity: 397

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCOC(=O)CC1=CC(=C(C=C1)OCC(=O)N(CC)CC)OCC
• Recent ClinicalTrials: Phase I, Single Centre, Study to Assess Safety, Tolerability, Pharmacokinetics and Pharmacodynamics of AZD3043

Technology Process of Benzeneacetic acid, 4-(2-(diethylamino)-2-oxoethoxy)-3-ethoxy-, propyl ester

There total 1 articles about Benzeneacetic acid, 4-(2-(diethylamino)-2-oxoethoxy)-3-ethoxy-, propyl 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: 53.0%

(3-ethoxy-4-hydroxyphenyl)-acetic acid propyl ester (579494-67-0) + 2-Chloro-N,N-diethylacetamide (2315-36-8) → AZD-3043 (579494-66-9)

Guidance literature:

With potassium carbonate; In acetone; for 15h; Heating / reflux;

upstream raw materials:

(3-ethoxy-4-hydroxyphenyl)-acetic acid propyl ester

2-Chloro-N,N-diethylacetamide

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