1-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone

Base Information

• Chemical Name: 1-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
• CAS No.: 35166-23-5
• Molecular Formula: C₁₂H₁₀ClNO₂
• Molecular Weight: 235.67
• DSSTox Substance ID: DTXSID501219122
• Mol file: 35166-23-5.mol

Synonyms:35166-23-5;SCHEMBL10520547;DTXSID501219122;1-[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]ethanone

Chemical Property of 1-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 235.0400063
• Heavy Atom Count: 16
• Complexity: 272

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)C

Technology Process of 1-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone

There total 1 articles about 1-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone 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:

→ 1-[3-(2-chloro-phenyl)-5-methyl-isoxazol-4-yl]-ethanone (35166-23-5)

Guidance literature:

o-Chlorbenzaldehydoxim <5>, 1. Cl2/CHCl3, 2. Malonsaeurediester, Na-ethoxid, nach Zitat 3);

Reference yield: 71.0%

1-[3-(2-chloro-phenyl)-5-methyl-isoxazol-4-yl]-ethanone (35166-23-5) + C12H15F2NOS (1286776-16-6) → C24H25ClF2N2O3S (1585971-16-9)

Guidance literature:

1-[3-(2-chloro-phenyl)-5-methyl-isoxazol-4-yl]-ethanone; With n-butyllithium; In tetrahydrofuran; at -78 ℃;

C₁₂H₁₅F₂NOS; In tetrahydrofuran; at -78 - -40 ℃;

DOI:10.1016/j.tetlet.2014.02.053

Reference yield: 59.0%

(R)-N-(1-(4-fluorophenyl)ethylidene)-2-methylpropane-2-sulfinamide + 1-[3-(2-chloro-phenyl)-5-methyl-isoxazol-4-yl]-ethanone (35166-23-5) → C24H26ClFN2O3S (1585971-17-0)

Guidance literature:

1-[3-(2-chloro-phenyl)-5-methyl-isoxazol-4-yl]-ethanone; With n-butyllithium; In tetrahydrofuran; at -78 ℃;

(R)-N-(1-(4-fluorophenyl)ethylidene)-2-methylpropane-2-sulfinamide; In tetrahydrofuran; at -78 - -40 ℃;

DOI:10.1016/j.tetlet.2014.02.053

Downstream raw materials:

2-Bromo-1-[3-(2-chloro-phenyl)-5-methyl-isoxazol-4-yl]-ethanone

2-Bromo-1-[3-(2-chloro-phenyl)-5-methyl-isoxazol-4-yl]-ethanol

1-[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-2-isopropylamino-ethanol

2-tert-Butylamino-1-[3-(2-chloro-phenyl)-5-methyl-isoxazol-4-yl]-ethanol