5-(4-Methylphenyl)isoxazole

Base Information

• Chemical Name: 5-(4-Methylphenyl)isoxazole
• CAS No.: 7064-35-9
• Molecular Formula: C23H28N4O4S2
• Molecular Weight: 159.188
• Hs Code.: 2934999090
• European Community (EC) Number: 663-165-3
• NSC Number: 111918
• DSSTox Substance ID: DTXSID90296834
• Nikkaji Number: J3.289.468B
• Wikidata: Q82037620
• Mol file: 7064-35-9.mol

Synonyms:5-(4-methylphenyl)isoxazole;7064-35-9;5-(4-methylphenyl)-1,2-oxazole;5-(p-Tolyl)isoxazole;5-p-Tolylisoxazole;5-(4-methyl-phenyl)-isoxazole;NSC111918;5-(p-tolyl)-isoxazole;5-(4-methylphenyl)-isoxazole;SCHEMBL2556889;DTXSID90296834;BJVLLTZZYAWHGW-UHFFFAOYSA-N;5-(4-methyl-phenyl)-1,2-oxazole;MFCD00030520;AKOS006228801;NSC-111918;SB21861;AS-34875;CS-0050770;FT-0619666;A866579

Chemical Property of 5-(4-Methylphenyl)isoxazole

Chemical Property:

• Vapor Pressure: 6.09E-10mmHg at 25°C
• Boiling Point: 290°Cat760mmHg
• Flash Point: 121.8°C
• PSA: 26.03000
• Density: 1.082g/cm³
• LogP: 2.65000
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.068413911
• Heavy Atom Count: 12
• Complexity: 141

Purity/Quality:

98%min ^*data from raw suppliers

5-(4-Methylphenyl)isoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CC=NO2

Technology Process of 5-(4-Methylphenyl)isoxazole

There total 16 articles about 5-(4-Methylphenyl)isoxazole 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: 95.0%

C10H9NO → 5-(4-methylphenyl)isoxazole (7064-35-9)

Guidance literature:

With gold(III) chloride; In dichloromethane; at 30 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1007/s12039-015-0993-9

Reference yield: 95.0%

C10H9NO → 5-(4-methylphenyl)isoxazole (7064-35-9)

Guidance literature:

With gold(III) chloride; In dichloromethane; at 30 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1055/s-0029-1219342

Reference yield: 91.0%

N'-((3-oxo-1-(p-tolyl)prop-1-en-1-yl)oxy)benzimidamide (1533419-00-9) → 5-(4-methylphenyl)isoxazole (7064-35-9)

Guidance literature:

With hydrogenchloride; In dichloromethane; water; at 20 ℃; for 1h;

DOI:10.1016/j.tet.2013.12.043

upstream raw materials:

1-(4-methylphenyl)-3-chloro-2-propen-1-one

3-oxo-3-p-tolyl-propionaldehyde

3-dimethylamino-1-(4-methyl-phenyl)-2-propen-1-one

N,N-dimethyl-formamide dimethyl acetal

Downstream raw materials:

3-amino-5-(4-methylphenyl)-1H-pyrazole

5-(4-bromomethyl-phenyl)-isoxazole

[N-(3,5-dimethylbenzoyl)-N-methyl-3-[4-(5-isoxazolyl)-phenyl]-(D)-alanyl]-(L)-tryptophane methyl ester

Refernces

• 1、 Jeyaveeran,Praveen, Chandrasekar,Arun,M Prince,Perumal. "Cycloisomerization of acetylenic oximes and hydrazones under gold catalysis: Synthesis and cytotoxic evaluation of isoxazoles and pyrazoles". . p. 73 - 83. Retrieved 2016/02/09.
• 2、 He, Yan,Xie, Yu-Yang,Wang, Ying-Chun,Bin, Xiao-Min,Hu, Da-Chao,Wang, Heng-Shan,Pan, Ying-Ming. "TEMPO-catalyzed synthesis of 5-substituted isoxazoles from propargylic ketones and TMSN3". . p. 58988 - 58993. Retrieved 2016/07/06.