Acetamide

Base Information

• Chemical Name: Acetamide
• CAS No.: 23724-60-9
• Molecular Formula: C₂H₅NO
• Molecular Weight: 62.044
• European Community (EC) Number: 200-473-5,685-266-1
• ICSC Number: 0233
• NSC Number: 25945
• UN Number: 3077
• UNII: 8XOE1JSO29
• DSSTox Substance ID: DTXSID7020005
• Nikkaji Number: J2.339F
• Wikipedia: Acetamide
• Wikidata: Q421721
• Metabolomics Workbench ID: 45014
• ChEMBL ID: CHEMBL16081
• Mol file: 23724-60-9.mol

Synonyms:acetamide;acetamide, monosodium salt

Chemical Property of Acetamide

Chemical Property:

• Melting Point: 78-80 °C(lit.)
• Boiling Point: 221 °C(lit.)
• PSA: 43.09000
• LogP: 0.19190
• Storage Temp.: Room Temperature
• Solubility.: DMSO (Soluble), Methanol (Slightly)
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 59.037113783
• Heavy Atom Count: 4
• Complexity: 33

Purity/Quality:

99%, ^*data from raw suppliers

Acetamide-2,2,2-d3 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 40
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Nitrogen Compounds
• Canonical SMILES: CC(=O)N
• Inhalation Risk: Evaporation at 20 °C is negligible; a nuisance-causing concentration of airborne particles can, however, be reached quickly when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin.
• Effects of Long Term Exposure: This substance is possibly carcinogenic to humans.
• Uses: Acetamide-2,2,2-d3 is used in infrared spectral studies and normal vibrations of acetamide and it’s deutrated analogs.

Technology Process of Acetamide

There total 5 articles about Acetamide 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: 73.0%

d(3)-acetic acid (1112-02-3) → 2,2,2-trideuterioacetamide (23724-60-9)

Guidance literature:

d⁽³⁾-acetic acid; With 1,1'-carbonyldiimidazole; In dichloromethane; at 20 ℃; for 0.5h;

With ammonia; In dichloromethane; at 0 - 5 ℃; for 0.666667h;

Reference yield: 20.0%

[D3]acetonitrile (2206-26-0) → 2,2,2-trideuterioacetamide (23724-60-9)

Guidance literature:

With chloro-trimethyl-silane; water; at 0 - 20 ℃; for 4h;

DOI:10.1039/c2cc37427g DOI:10.1039/c2cc37427g

Reference yield:

trideuteroacetic acid isopropyl ester (53778-70-4) → 2,2,2-trideuterioacetamide (23724-60-9)

Guidance literature:

With ammonia; In ethanol; water; at 0 - 20 ℃; for 1h;

DOI:10.1002/jlcr.1467

upstream raw materials:

tetradeuterioacetic acid

trideuteroacetic acid isopropyl ester

[D₃]acetonitrile

d⁽³⁾-acetic acid

Downstream raw materials:

Perdeutero-N,N-dimethyl-acetamid

N-benzyl-[C-²H₃]acetamide

Refernces

• 1、 Gray,Leyshon. "". . p. 780,784, 785. Retrieved 1969.
• 2、 Atkinson, Benjamin N.,Chhatwal, A. Rosie,Lomax, Helen V.,Walton, James W.,Williams, Jonathan M. J.. "Transamidation of primary amides with amines catalyzed by zirconocene dichloride". supporting information. p. 11626 - 11628,3. Retrieved 2012/12/12.
• 3、 Adelwoehrer, Christian,Yoneda, Yuko,Nakatsubo, Fumiaki,Rosenau, Thomas. "Synthesis of the perdeuterated cellulose solvents N-methylmorpholine N-oxide (NMMO-d11) and N,N-dimethylacetamide (DMAC-d9)". . p. 28 - 32. Retrieved 2008/09/18.