5-(4-Methoxyphenyl)isoxazole

Base Information

• Chemical Name: 5-(4-Methoxyphenyl)isoxazole
• CAS No.: 3672-48-8
• Molecular Formula: C10H9 N O2
• Molecular Weight: 175.187
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70371577
• Nikkaji Number: J2.606.450C
• Wikidata: Q82158941
• ChEMBL ID: CHEMBL347302
• Mol file: 3672-48-8.mol

Synonyms:5-(4-Methoxyphenyl)isoxazole;3672-48-8;5-(4-methoxyphenyl)-1,2-oxazole;5-(4-methoxyphenyl)isoxazole, AldrichCPR;CHEMBL347302;SCHEMBL2090455;5-(4-Methoxy-phenyl)-isoxazole;DTXSID70371577;AMY20831;MFCD02183545;AKOS006230412;AB11509;BS-42410;CS-0150406;FT-0747629;D94956

Chemical Property of 5-(4-Methoxyphenyl)isoxazole

Chemical Property:

• PSA: 35.26000
• LogP: 2.35020
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 175.063328530
• Heavy Atom Count: 13
• Complexity: 155

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C2=CC=NO2

Technology Process of 5-(4-Methoxyphenyl)isoxazole

There total 21 articles about 5-(4-Methoxyphenyl)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: 87.0%

3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one (18096-70-3) → 5-(4-methoxyphenyl)-1,2-oxazole (3672-48-8)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; at 25 ℃; for 0.583333h; Sonication;

DOI:10.1002/jhet.2016

Reference yield: 85.0%

(E)-3-butoxy-1-(4-methoxyphenyl)prop-2-en-1-one (115270-35-4) → 5-(4-methoxyphenyl)-1,2-oxazole (3672-48-8)

Guidance literature:

With hydrogenchloride; hydroxylamine hydrochloride; In ethanol; water; at 80 ℃; for 16h; Inert atmosphere;

DOI:10.1021/ol300837d

Reference yield: 78.0%

N'-((1-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl)oxy)benzimidamide (1533419-01-0) → 5-(4-methoxyphenyl)-1,2-oxazole (3672-48-8)

Guidance literature:

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

DOI:10.1016/j.tet.2013.12.043

upstream raw materials:

3-(4-methoxy-phenyl)-3-oxo-propionaldehyde-oxime

3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one

1-(p-Methoxy-benzoyl)-vinyl-alkohol

3-(4-methoxy-phenyl)-3-oxo-propionaldehyde

Downstream raw materials:

3-oxo-3-(4'-methoxyphenyl)propanenitrile

5-(4-methoxyphenyl)-1-phenyl-1H-pyrazole

3-(4-methoxy-phenyl)-1-phenyl-1H-pyrazole

5-(4-methoxyphenyl)-1H-pyrazol-3-ylamine

Refernces

• 1、 -. "Preparation method of isoxazole derivative". Paragraph 0084-0089. . Retrieved 2019/12/02.
• 2、 Huang, Zhi-Bin,Li, Li-Li,Zhao, Yan-Wei,Wang, Hui-Yuan,Shi, Da-Qing. "An efficient synthesis of isoxazoles and pyrazoles under ultrasound irradiation". . p. E309-E313. Retrieved 2014/11/07.