Ethyl 6-(diethylamino)-6-oxohexanoate

Base Information

• Chemical Name: Ethyl 6-(diethylamino)-6-oxohexanoate
• CAS No.: 6946-54-9
• Molecular Formula: C12H23 N O3
• Molecular Weight: 229.32
• NSC Number: 57334
• DSSTox Substance ID: DTXSID90288693
• Wikidata: Q82025774
• Mol file: 6946-54-9.mol

Synonyms:6946-54-9;ethyl 6-(diethylamino)-6-oxohexanoate;NSC57334;DTXSID90288693;NSC-57334

Chemical Property of Ethyl 6-(diethylamino)-6-oxohexanoate

Chemical Property:

• Vapor Pressure: 0.000378mmHg at 25°C
• Boiling Point: 317.7°C at 760 mmHg
• Flash Point: 146°C
• Density: 0.978g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 229.16779360
• Heavy Atom Count: 16
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 6-(diethylamino)-6-oxohexanoate

There total 2 articles about Ethyl 6-(diethylamino)-6-oxohexanoate 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:

ethyl 6-chloro-6-oxohexanoate (1071-71-2) + diethylamine (109-89-7) → N,N-diethyl-adipamic acid ethyl ester (6946-54-9)

Guidance literature:

With diethyl ether;

Reference yield:

→ N,N-diethyl-adipamic acid ethyl ester (6946-54-9)

Guidance literature:

ClCO(CH2)4COOC2H5 in Benzol, 1. Zutropfen von (C2H5)2NH in Benzol, 2. ueber Nacht stehen lassen;

Reference yield: 58.0%

N,N-diethyl-adipamic acid ethyl ester (6946-54-9) + aniline (62-53-3) → N-phenyl-adipamic acid ethyl ester (56384-34-0)

Guidance literature:

With chloro-trimethyl-silane; 1,10-Phenanthroline; tungsten(VI) chloride; In 1-methyl-pyrrolidin-2-one; at 140 ℃; for 36h;

DOI:10.1021/acscatal.1c01840

upstream raw materials:

ethyl 6-chloro-6-oxohexanoate

diethylamine

Downstream raw materials:

6-(N,N-diethylamino)-hexanol

N-phenyl-adipamic acid ethyl ester