Acetamide, N-(3-phenyl-5-isoxazolyl)-

Base Information

• Chemical Name: Acetamide, N-(3-phenyl-5-isoxazolyl)-
• CAS No.: 31301-40-3
• Molecular Formula: C11H10N2O2
• Molecular Weight: 202.213
• DSSTox Substance ID: DTXSID80356618
• Wikidata: Q82136075
• Mol file: 31301-40-3.mol

Synonyms:31301-40-3;Acetamide, N-(3-phenyl-5-isoxazolyl)-;N-(3-phenyl-1,2-oxazol-5-yl)acetamide;N-(3-Phenylisoxazol-5-yl)acetamide;Oprea1_607071;Oprea1_773893;3-phenyl-5-acetamidoisoxazole;3-Phenyl-5-acetylaminoisoxazole;SCHEMBL10802219;DTXSID80356618;CJQKURVQUSYIOK-UHFFFAOYSA-N;SR-01000315746;SR-01000315746-1

Chemical Property of Acetamide, N-(3-phenyl-5-isoxazolyl)-

Chemical Property:

• PSA: 58.62000
• LogP: 2.94950
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 202.074227566
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=NO1)C2=CC=CC=C2

Technology Process of Acetamide, N-(3-phenyl-5-isoxazolyl)-

There total 5 articles about Acetamide, N-(3-phenyl-5-isoxazolyl)- 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: 72.0%

3-phenyl-isoxazol-5-ylamine (4369-55-5) + acetyl chloride (75-36-5) → N-(3-phenyl-1,2-oxazol-5-yl)acetamide (31301-40-3)

Guidance literature:

With pyridine; In acetonitrile; at 0 ℃; for 3h; Inert atmosphere; Reflux;

DOI:10.1016/j.bmc.2017.02.018

Reference yield:

3-phenyl-isoxazol-5-ylamine (4369-55-5) + acetic anhydride (108-24-7) → N-(3-phenyl-1,2-oxazol-5-yl)acetamide (31301-40-3)

Guidance literature:

Reference yield:

Benzoylacetonitrile (614-16-4) → N-(3-phenyl-1,2-oxazol-5-yl)acetamide (31301-40-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide; hydroxylamine / water / 14 h / Inert atmosphere; Reflux

2: pyridine / acetonitrile / 3 h / 0 °C / Inert atmosphere; Reflux

With pyridine; hydroxylamine; sodium hydroxide; In water; acetonitrile;

DOI:10.1016/j.bmc.2017.02.018

upstream raw materials:

3-phenyl-isoxazol-5-ylamine

acetic anhydride

2-benzoyl-3-phenylacrylonitrile

acetyl chloride

Downstream raw materials:

N-(4-chloro-3-phenyl-isoxazol-5-yl)-acetamide

N-(4-nitro-3-phenyl-isoxazol-5-yl)-acetamide

N-Ethyl-2-methyl-N-(3-phenyl-isoxazol-5-yl)-acrylamide

3-Diethylamino-N-ethyl-2-methyl-N-(3-phenyl-isoxazol-5-yl)-propionamide