Ethyl 2-(2-(diethylamino)ethyl)acetoacetate

Base Information

• Chemical Name: Ethyl 2-(2-(diethylamino)ethyl)acetoacetate
• CAS No.: 23999-02-2
• Molecular Formula: C12H23 N O3
• Molecular Weight: 229.32
• Hs Code.: 2922499990
• European Community (EC) Number: 245-977-6
• DSSTox Substance ID: DTXSID90946842
• Nikkaji Number: J242.716H
• Mol file: 23999-02-2.mol

Synonyms:Ethyl 2-(2-(diethylamino)ethyl)acetoacetate;23999-02-2;ETHYL 2-[2-(DIETHYLAMINO)ETHYL]-3-OXOBUTANOATE;Ethyl 2-[2-(diethylamino)ethyl]acetoacetate;EINECS 245-977-6;DTXSID90946842;ethyl 2-(2-diethylaminoethyl)acetoacetate;Ethyl2-(2-(diethylamino)ethyl)-3-oxobutanoate;A817033;3-Oxo-2-[2-(diethylamino)ethyl]butyric acid ethyl ester;2-[2-(diethylamino)ethyl]-3-oxobutanoic acid ethyl ester;ethyl 2-[2-(diethylamino)ethyl]-3-oxidanylidene-butanoate;Butanoic acid, 2-(2-(diethylamino)ethyl)-3-oxo-, ethyl ester

Chemical Property of Ethyl 2-(2-(diethylamino)ethyl)acetoacetate

Chemical Property:

• Vapor Pressure: 0.000683mmHg at 25°C
• Boiling Point: 308.4°Cat760mmHg
• PKA: 11.53±0.59(Predicted)
• Flash Point: 140.3°C
• PSA: 46.61000
• Density: 0.976g/cm³
• LogP: 1.48660
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 229.16779360
• Heavy Atom Count: 16
• Complexity: 224

Purity/Quality:

97% ^*data from raw suppliers

ALPHA-(BETA-DIETHYLAMINOETHYL)ACETOACETIC ACID ETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCC(C(=O)C)C(=O)OCC

Technology Process of Ethyl 2-(2-(diethylamino)ethyl)acetoacetate

There total 7 articles about Ethyl 2-(2-(diethylamino)ethyl)acetoacetate 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: 95.0%

ethyl acetoacetate (141-97-9) + Trifluoro-methanesulfonate1-(2-diethylamino-ethyl)-2,4,6-triphenyl-pyridinium; (83698-43-5) → 2,4,6-triphenylpyridine (580-35-8) + 3-Ethoxycarbonyl-N,N-diethyl-4-oxopentylamine (23999-02-2)

Guidance literature:

With sodium; In ethanol; at 80 ℃; for 8h;

DOI:10.1002/jhet.5570190408

Reference yield:

N,N-diethylethylenediamine (100-36-7) → 3-Ethoxycarbonyl-N,N-diethyl-4-oxopentylamine (23999-02-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 72 percent / 2) Acetic acid / CH₂Cl₂ / 1) 40 min, 2) 2 h.

2: 18 percent / Sodium / ethanol / 8 h / 80 °C

With sodium; acetic acid; In ethanol; dichloromethane;

DOI:10.1002/jhet.5570190408

Reference yield:

ethyl acetoacetate (141-97-9) + 2-(diethylamino)ethyl chloride (100-35-6) → 3-Ethoxycarbonyl-N,N-diethyl-4-oxopentylamine (23999-02-2)

Guidance literature:

With sodium; In benzene;

upstream raw materials:

diethyl acetal

ethyl acetoacetate

2-(diethylamino)ethyl chloride

sodium ethanolate

Downstream raw materials:

4-(2-diethylamino-ethyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one

5-diethylamino-2-pentanone

2-(2-Diethylamino-ethyl)-2-(4-nitro-benzoyl)-3-oxo-butyric acid ethyl ester

4-Diethylamino-2-<4-nitro-phenylhydrazono>-buttersaeure-ethylester