N,N-diformylacetamide

Base Information

• Chemical Name: N,N-diformylacetamide
• CAS No.: 26944-31-0
• Molecular Formula: C4H5NO3
• Molecular Weight: 115.089
• Hs Code.: 29241900
• DSSTox Substance ID: DTXSID30429048
• Nikkaji Number: J364.660B
• Wikidata: Q82241932
• Mol file: 26944-31-0.mol

Synonyms:N,N-diformylacetamide;26944-31-0;SCHEMBL10725040;DTXSID30429048;FT-0744440

Chemical Property of N,N-diformylacetamide

Chemical Property:

• Boiling Point: 70 °C (15 mmHg)
• PKA: -2.09±0.70(Predicted)
• PSA: 54.45000
• Density: 1.229±0.06 g/cm3(Predicted)
• LogP: 0.41950
• Storage Temp.: Refrigerator (+4°C)
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 115.026943022
• Heavy Atom Count: 8
• Complexity: 113

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N(C=O)C=O

Technology Process of N,N-diformylacetamide

There total 2 articles about N,N-diformylacetamide 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:

acetyl chloride (75-36-5) + C2H2NO2(1-)*Ag(1+) → N,N-Diformylacetamide (26944-31-0)

Guidance literature:

In diethyl ether; at 0 ℃;

Reference yield:

formamide (77287-34-4,77287-35-5,60100-09-6) + acetyl chloride (75-36-5) → N,N-Diformylacetamide (26944-31-0)

Guidance literature:

With sodium methylate; Yield given. Multistep reaction; 1.) 2.5 h, r.t.; 1.5 h, r.t.-->80 deg C; 1.5 h, 80 deg C, 2.) ether, r.t., 93 h;

DOI:10.1055/s-1982-29771

Reference yield: 90.0%

N,N-Diformylacetamide (26944-31-0) + 4-Phenoxyphenol (831-82-3) → Formic acid 4-phenoxy-phenyl ester (406700-77-4)

Guidance literature:

With sodium diformamide; at 85 ℃; for 2h;

DOI:10.1515/znb-2001-1112

upstream raw materials:

acetyl chloride

formamide

Downstream raw materials:

triformylamine

N-formyl-N-phenylformamide

phenyl formate

2-oxo-pyrrolidine-1-carbaldehyde

Refernces