N-(2-oxoheptan-3-yl)acetamide

Base Information

• Chemical Name: N-(2-oxoheptan-3-yl)acetamide
• CAS No.: 30057-76-2
• Molecular Formula: C₉H₁₇NO₂
• Molecular Weight: 171.239
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID20505587
• Mol file: 30057-76-2.mol

Synonyms:N-(2-oxoheptan-3-yl)acetamide;30057-76-2;SCHEMBL13525107;DTXSID20505587;FT-0686170

Chemical Property of N-(2-oxoheptan-3-yl)acetamide

Chemical Property:

• PSA: 46.17000
• LogP: 1.66120
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 171.125928785
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

98%min ^*data from raw suppliers

N-(2-Oxoheptan-3-yl)acetamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(C(=O)C)NC(=O)C

Technology Process of N-(2-oxoheptan-3-yl)acetamide

There total 2 articles about N-(2-oxoheptan-3-yl)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:

2-amino-hexanoic acid (616-06-8) + acetic anhydride (108-24-7) → 3-acetamidoheptan-2-one (30057-76-2)

Guidance literature:

With pyridine;

DOI:10.1002/hlca.19500330512

Reference yield:

n-Butyl chloride (109-69-3) + N-acetamidoacetone (7737-16-8) → 3-acetamidoheptan-2-one (30057-76-2)

Guidance literature:

With ethanol; sodium ethanolate;

Reference yield:

3-acetamidoheptan-2-one (30057-76-2) → 6-chloro-9-(2-hydroxy-3-heptyl)-2-phenyl-8-azapurine

Guidance literature:

Multi-step reaction with 4 steps

1: HCl / 2 h / 120 °C

2: NaBH₄; glacial acetic acid / methanol / 20 h / 20 °C / pH 5 - 6

3: 0.63 g / N,N-diethylaniline / pentan-1-ol / 72 h / 170 °C

4: NaNO₂; glacial acetic acid / H₂O; tetrahydrofuran / 5 h / 0 - 20 °C

With hydrogenchloride; sodium tetrahydroborate; acetic acid; N,N-diethylaniline; sodium nitrite; In tetrahydrofuran; methanol; pentan-1-ol; water;

DOI:10.1016/S0223-5234(03)00147-8

upstream raw materials:

2-amino-hexanoic acid

acetic anhydride

n-Butyl chloride

N-acetamidoacetone

Downstream raw materials:

3-amino-heptan-2-one; hydrochloride

3-aminoheptan-2-one