Diacetamide

Base Information

• Chemical Name: Diacetamide
• CAS No.: 625-77-4
• Molecular Formula: C4H7NO2
• Molecular Weight: 101.105
• Hs Code.: 2925190090
• European Community (EC) Number: 210-910-1
• NSC Number: 405639
• UNII: M3GE4E3PRK
• DSSTox Substance ID: DTXSID10211549
• Nikkaji Number: J1.688H
• Metabolomics Workbench ID: 125275
• ChEMBL ID: CHEMBL18986
• Mol file: 625-77-4.mol

Synonyms:DIACETAMIDE;625-77-4;N-Acetylacetamide;Acetamide, N-acetyl-;Diacetylamine;Bisacetylamine;CH3C(O)NHC(O)CH3;EINECS 210-910-1;NSC-405639;N-Acetyl-acetamide;NN-Diacetylamine;N- Acetylacetamide;Diacetamide, 97%;M3GE4E3PRK;NCIOpen2_003809;SCHEMBL97089;CHEMBL18986;QSPL 004;DTXSID10211549;MFCD00008679;NSC405639;AKOS000121396;NSC 405639;AS-56342;CS-0188389;FT-0624584;D97387

Chemical Property of Diacetamide

Chemical Property:

• Appearance/Colour: white crystalline powder or chunks
• Vapor Pressure: 0.0959mmHg at 25°C
• Melting Point: 75.5-76.5 °C(lit.)
• Refractive Index: 1.41
• Boiling Point: 223.5 °C at 760 mmHg
• PKA: 12.15±0.46(Predicted)
• Flash Point: 101.8 °C
• PSA: 46.17000
• Density: 1.035 g/cm³
• LogP: 0.05990
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 101.047678466
• Heavy Atom Count: 7
• Complexity: 85.9

Purity/Quality:

99% ^*data from raw suppliers

Diacetamide 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC(=O)C
• Uses: N-Acetyl Acetamide is a useful reagent for organic synthesis.

Technology Process of Diacetamide

There total 86 articles about Diacetamide 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: 97.0%

acetic anhydride (108-24-7) + acetonitrile (75-05-8,26809-02-9) → N-acetylacetamide (625-77-4)

Guidance literature:

With H₃PW₁₂O₄₀; at 40 ℃; for 0.00694444h; Microwave irradiation; neat (no solvent);

DOI:10.1007/BF03249074

Reference yield: 93.0%

n-butylammonium acetate (1641-36-7) + acetonitrile (75-05-8,26809-02-9) → N-acetylacetamide (625-77-4)

Guidance literature:

n-butylammonium acetate; With trifluoromethylsulfonic anhydride; at 0 - 20 ℃; for 0.0833333h;

acetonitrile; at 60 ℃; for 1h;

With water; sodium hydrogencarbonate;

DOI:10.1016/j.tetlet.2012.03.121

Reference yield: 82.0%

acetamide (60-35-5) + acetyl chloride (75-36-5) → N-acetylacetamide (625-77-4)

Guidance literature:

With pyridine;

upstream raw materials:

pyridine

1-(4-iodophenyl)urea

acetic anhydride

acetamide

Downstream raw materials:

N-(2-hydroxy-ethyl)-diacetamide

1-acetamidonaphthalene

o-acetylamino-benzoic acid

acetamide

Refernces

• 1、 Agyei-Tuffour, Benjamin,Efavi, Johnson K.,Manu, Gloria,Nyankson, Emmanuel. "Synthesis of TiO2-Ag3PO4photocatalyst material with high adsorption capacity and photocatalytic activity: application in the removal of dyes and pesticides". . p. 17032 - 17045. Retrieved 2021/05/25.
• 2、 Kacan,Cicek,Karabulut,Ozyildirim. "A mild, aromatization of cyclic compounds and oxidation of amino groups to carbonyls using o-iodoxybenzoic acid". . p. 7649 - 7650. Retrieved 2013/08/23.