2-Bromo-N-(5-methyl-isoxazol-3-yl)-acetamide

Base Information

• Chemical Name: 2-Bromo-N-(5-methyl-isoxazol-3-yl)-acetamide
• CAS No.: 92947-26-7
• Molecular Formula: C6H7BrN2O2
• Molecular Weight: 219.03600
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID20424486
• Wikidata: Q82237081
• Mol file: 92947-26-7.mol

Synonyms:2-Bromo-N-(5-methyl-isoxazol-3-yl)-acetamide;92947-26-7;2-bromo-N-(5-methylisoxazol-3-yl)acetamide;2-bromo-N-(5-methyl-1,2-oxazol-3-yl)acetamide;SCHEMBL145381;DTXSID20424486;UOYWPJAXHXFGFE-UHFFFAOYSA-N;STK264899;AKOS000302200;AT38409;BP-12008;CS-0316850

Chemical Property of 2-Bromo-N-(5-methyl-isoxazol-3-yl)-acetamide

Chemical Property:

• PSA: 55.13000
• LogP: 1.38940
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 217.96909
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

98%min ^*data from raw suppliers

2-Bromo-N-(5-methylisoxazol-3-yl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NO1)NC(=O)CBr

Technology Process of 2-Bromo-N-(5-methyl-isoxazol-3-yl)-acetamide

There total 2 articles about 2-Bromo-N-(5-methyl-isoxazol-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: 89.9%

5-methylisoxazol-3-ylamine (1072-67-9) + 2-Bromoacetyl bromide (598-21-0) → 2-bromo-N-(5-methylisoxazol-3-yl)acetamide (92947-26-7)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃; for 8h;

DOI:10.1021/acs.jmedchem.9b00517

Reference yield: 55.0%

5-methylisoxazol-3-ylamine (1072-67-9) + 2-bromoacetyl chloride (22118-09-8) → 2-bromo-N-(5-methylisoxazol-3-yl)acetamide (92947-26-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 1h;

Reference yield: 53.3%

2-bromo-N-(5-methylisoxazol-3-yl)acetamide (92947-26-7) + m-chlorophenylacetylene (766-83-6) → 2-(4-(3-chlorophenyl)-1H-1,2,3-triazol-1-yl)-N-(5-methylisoxazol-3-yl)acetamide

Guidance literature:

2-bromo-N-(5-methylisoxazol-3-yl)acetamide; With copper(l) iodide; sodium azide; In dimethyl sulfoxide; at 20 ℃; for 0.5h;

m-chlorophenylacetylene; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dimethyl sulfoxide; at 70 ℃; for 8h;

DOI:10.1021/acs.jmedchem.9b00517

upstream raw materials:

5-methylisoxazol-3-ylamine

2-Bromoacetyl bromide

2-bromoacetyl chloride

Downstream raw materials:

3,5-dimethyl-4-(2-(5-methylisoxazol-3-ylamino)ethoxy)benzaldehyde

2-(3,5-dimethyl-4-(2-(5-methylisoxazol-3-ylamino)ethoxy)phenyl)-5,7-dimethoxyquinazolin-4(3H)-one