N-Acetylbutanamide

Base Information

• Chemical Name: N-Acetylbutanamide
• CAS No.: 22534-71-0
• Molecular Formula: C6H11 N O2
• Molecular Weight: 129.159
• DSSTox Substance ID: DTXSID70177051
• Nikkaji Number: J1.610.304G
• Wikidata: Q83047372

Synonyms:N-ACETYLBUTANAMIDE;N-acetylbutyramide;22534-71-0;SCHEMBL936835;DTXSID70177051

Chemical Property of N-Acetylbutanamide

Chemical Property:

• Vapor Pressure: 0.0614mmHg at 25°C
• Boiling Point: 231.7°Cat760mmHg
• Flash Point: 105.5°C
• Density: 0.988g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 129.078978594
• Heavy Atom Count: 9
• Complexity: 120

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)NC(=O)C

Technology Process of N-Acetylbutanamide

There total 7 articles about N-Acetylbutanamide 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: 93.0%

butanoic acid anhydride (106-31-0) + acetonitrile (75-05-8,26809-02-9) → N-acetyl-butyramide (22534-71-0)

Guidance literature:

With sulfuric acid; silica gel; at 60 - 70 ℃; for 5.9h;

DOI:10.1055/s-2007-970781

Reference yield: 92.0%

N-butylammonium butyrate + acetonitrile (75-05-8,26809-02-9) → N-acetyl-butyramide (22534-71-0)

Guidance literature:

N-butylammonium butyrate; 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: 89.0%

propyl cyanide (109-74-0) + acetic anhydride (108-24-7) → N-acetyl-butyramide (22534-71-0)

Guidance literature:

With H₃PW₁₂O₄₀; at 40 ℃; for 0.0111111h; Microwave irradiation; neat (no solvent);

DOI:10.1007/BF03249074

upstream raw materials:

butanamide

acetic anhydride

acetyl chloride

ethyl isocyanate

Downstream raw materials:

acetamide

butanamide

butanoic acid methyl ester

N-acetylacetamide

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