N,N-Diethylacetamide

Base Information

• Chemical Name: N,N-Diethylacetamide
• CAS No.: 685-91-6
• Molecular Formula: C6H13NO
• Molecular Weight: 115.175
• Hs Code.: 29241900
• European Community (EC) Number: 211-685-2
• NSC Number: 101
• UNII: 6YO81D7ST6
• DSSTox Substance ID: DTXSID9020459
• Nikkaji Number: J33.415D
• Wikidata: Q27265731
• ChEMBL ID: CHEMBL3184758
• Mol file: 685-91-6.mol

Synonyms:N,N-diethylacetamide

Chemical Property of N,N-Diethylacetamide

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.0291mmHg at 25°C
• Melting Point: LESS THAN 20ºC
• Refractive Index: n20/D 1.440(lit.)
• Boiling Point: 185.499 °C at 760 mmHg
• PKA: -0.41±0.70(Predicted)
• Flash Point: 69.316 °C
• PSA: 20.31000
• Density: 0.873 g/cm³
• LogP: 0.87470
• Storage Temp.: Store below +30°C.
• Solubility.: 53.5g/l
• Water Solubility.: Soluble in water.
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 115.099714038
• Heavy Atom Count: 8
• Complexity: 76.6

Purity/Quality:

99%min ^*data from raw suppliers

N,N-Diethylacetamide >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Amides (
• Canonical SMILES: CCN(CC)C(=O)C
• Uses: N,N-Diethylacetamide was used to investigate the spectroscopic properties ofN,N-diethyl-2-[(4-substituted)phenylsulfinyl] acetamides. It is commonly used as drug solvent.

Technology Process of N,N-Diethylacetamide

There total 107 articles about N,N-Diethylacetamide 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: 99.0%

vinyl acetate (108-05-4,9003-20-7) + diethylamine (109-89-7) → diethylacetamide (685-91-6)

Guidance literature:

With immobilization of Candida cylindracea lipase; In hexane; at 55 ℃; for 12h;

DOI:10.1016/j.procbio.2013.06.009

Reference yield: 98.5%

ethanol (64-17-5) + ethylamine (75-04-7,85404-22-4) + ethyl acetate (141-78-6) → diethylacetamide (685-91-6)

Guidance literature:

With Cu 20%, Co 6%, Mn 4%, Mo 5%, Ag 0000.2%, alkaline earth metal 5%, rare earth metal 2%; at 30 - 50 ℃; Temperature;

Reference yield: 97.0%

acetic anhydride (108-24-7) + diethylamine (109-89-7) → diethylacetamide (685-91-6)

Guidance literature:

With nickel dichloride; at 20 ℃; for 0.166667h; Neat (no solvent);

DOI:10.1080/00397910902906529

upstream raw materials:

ethanol

tetra-N-ethyl-vinylidenediamine

hexaethylphosphorous triamide

acetic anhydride

Downstream raw materials:

3-hydroxy-3,3-diphenyl-propionic acid diethylamide

N,N-diethyl-3-oxobutanamide

ethane

butanone

Refernces

• 1、 Legacy, Christopher J.,Hope, Taylor O.,Gagné, Yohann,Greenaway, Frederick T.,Frenette, Mathieu,Emmert, Marion H.. "Mechanistic Insights into Fe Catalyzed α-C?H Oxidations of Tertiary Amines". . p. 235 - 246. Retrieved 2020/10/19.
• 2、 Jain, Isha,Sharma, Ramandeep,Malik, Payal. "Manganese-mediated acetylation of alcohols, phenols, thiols, and amines utilizing acetic anhydride". supporting information. p. 2952 - 2960. Retrieved 2019/09/13.