Butanamide, 2-methyl-3-oxo-N-(phenylmethyl)-

Base Information

• Chemical Name: Butanamide, 2-methyl-3-oxo-N-(phenylmethyl)-
• CAS No.: 90033-07-1
• Molecular Formula: C12H15NO2
• Molecular Weight: 205.257
• DSSTox Substance ID: DTXSID70474092
• Nikkaji Number: J2.051.000E

Synonyms:90033-07-1;Butanamide, 2-methyl-3-oxo-N-(phenylmethyl)-;SCHEMBL8930750;DTXSID70474092

Chemical Property of Butanamide, 2-methyl-3-oxo-N-(phenylmethyl)-

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 232

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)C)C(=O)NCC1=CC=CC=C1

Technology Process of Butanamide, 2-methyl-3-oxo-N-(phenylmethyl)-

There total 8 articles about Butanamide, 2-methyl-3-oxo-N-(phenylmethyl)- 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: 63.0%

2,2,5,6-tetramethyl-2H,4H-1,3-dioxin-4-one (87769-39-9) + benzylamine (100-46-9) → N-benzyl-2-methyl-3-oxobutanamide (90033-07-1)

Guidance literature:

In 1,3,5-trimethyl-benzene; at 167 ℃; for 1.5h;

Reference yield: 42.0%

2-acetylpropanoic acid ethyl ester (609-14-3) + benzylamine (100-46-9) → N-benzyl-2-methyl-3-oxobutanamide (90033-07-1)

Guidance literature:

In 1,4-dioxane; at 30 ℃; for 144h; immobilized lipase from Candida antarctica SP 435A;

DOI:10.1016/S0040-4020(01)81346-6

Reference yield:

N-benzyl-3-oxobutanamide (882-36-0) + methyl iodide (74-88-4) → N-benzyl-2-methyl-3-oxobutanamide (90033-07-1)

Guidance literature:

With sodium ethanolate; In ethanol;

DOI:10.1021/ja9729591

upstream raw materials:

benzyl-(3,4-dimethyl-isoxazol-5-yl)-amine

2-acetylpropanoic acid ethyl ester

benzylamine

2,2,5,6-tetramethyl-2H,4H-1,3-dioxin-4-one

Downstream raw materials:

(2SR,3RS)-N-benzyl-3-hydroxy-2-methylbutanamide

(2RS,3RS)-N-benzyl-3-hydroxy-2-methylbutanamide

(R)-((S)-3-Benzylcarbamoyl-3-methyl-2-methylene-6-oxo-piperidin-1-yl)-phenyl-acetic acid ethyl ester

(2S,3R)-N-benzyl-3-hydroxy-2-methylbutanamide

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