N-Ethyl-3-oxobutanamide

Base Information

• Chemical Name: N-Ethyl-3-oxobutanamide
• CAS No.: 10138-46-2
• Molecular Formula: C6H11 N O2
• Molecular Weight: 129.159
• Hs Code.: 2924199090
• UNII: GN725IYQ3Q
• DSSTox Substance ID: DTXSID7040108
• Nikkaji Number: J38.090C
• Wikidata: Q27279185
• Mol file: 10138-46-2.mol

Synonyms:N-Ethyl-3-oxobutanamide;N-Ethyl acetoacetamide;10138-46-2;N-ethylacetoacetamide;Butanamide, N-ethyl-3-oxo-;ACETOACETAMIDE, N-ETHYL-;BRN 1754233;Ethylamid kyseliny acetoctove [Czech];UNII-GN725IYQ3Q;Ethylamid kyseliny acetoctove;GN725IYQ3Q;Ethyl acetoacetalamide;SCHEMBL649664;DTXSID7040108;AKOS000165670;FT-0693733;Q27279185

Chemical Property of N-Ethyl-3-oxobutanamide

Chemical Property:

• Vapor Pressure: 0.00342mmHg at 25°C
• Boiling Point: 282.1°C at 760 mmHg
• Flash Point: 135.3°C
• PSA: 46.17000
• Density: 0.988g/cm³
• LogP: 0.49250
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 129.078978594
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-Ethyl-3-oxobutanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)CC(=O)C
• Uses: N-Ethyl-3-oxobutanamide is a reagent used in the preparation of selective A3 Adenosine receptor antagonists.

Technology Process of N-Ethyl-3-oxobutanamide

There total 5 articles about N-Ethyl-3-oxobutanamide 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: 74.0%

ethyl acetoacetate (141-97-9) + ethylamine (75-04-7,85404-22-4) → N-ethyl-3-oxo-butanamide (10138-46-2)

Guidance literature:

at 120 ℃; for 1.5h;

DOI:10.1007/s12039-013-0565-9

Reference yield:

4-methyleneoxetan-2-one (674-82-8,2130-41-8) + ethylamine (75-04-7,85404-22-4) → N-ethyl-3-oxo-butanamide (10138-46-2)

Guidance literature:

In diethyl ether;

DOI:10.1021/jo01037a009

Reference yield:

Acetoacetylfluorid (2343-88-6) + ethylamine (75-04-7,85404-22-4) → N-ethyl-3-oxo-butanamide (10138-46-2)

Guidance literature:

In diethyl ether;

DOI:10.1021/jo01060a055

upstream raw materials:

4-methyleneoxetan-2-one

ethylamine

diethylamine

Acetoacetylfluorid

Downstream raw materials:

2-Chlor-acetessigsaeure-ethylamid

2,2-dichloro-acetoacetic acid ethylamide