5-(4-Methylphenyl)-1,3-oxazole

Base Information

• Chemical Name: 5-(4-Methylphenyl)-1,3-oxazole
• CAS No.: 143659-19-2
• Molecular Formula: C10H9NO
• Molecular Weight: 159.188
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80372297
• Nikkaji Number: J1.098.322C
• Wikidata: Q82159931
• ChEMBL ID: CHEMBL1493272
• Mol file: 143659-19-2.mol

Synonyms:5-(4-methylphenyl)-1,3-oxazole;143659-19-2;5-(p-Tolyl)oxazole;Oxazole,5-(4-methylphenyl)-;4-(1,3-Oxazol-5-yl)toluene;5-p-tolyloxazole;Maybridge1_007479;5-(4-Methylphenyl)oxazole;SCHEMBL83171;MLS000859878;CHEMBL1493272;HMS562L21;DTXSID80372297;CHEBI:194866;VKPVBCSBGBAMCJ-UHFFFAOYSA-N;HMS2790N18;MFCD00085134;AKOS006228249;MS-21985;SMR000460857;CS-0196390;FT-0619662;C90980;EN300-3465019;Z1201618984

Chemical Property of 5-(4-Methylphenyl)-1,3-oxazole

Chemical Property:

• Vapor Pressure: 0.00936mmHg at 25°C
• Melting Point: 65-67 °C
• Refractive Index: 1.539
• Boiling Point: 273.9 °C at 760 mmHg
• Flash Point: 108.6 °C
• PSA: 26.03000
• Density: 1.082 g/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)-1,3-oxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=CN=CO2

Technology Process of 5-(4-Methylphenyl)-1,3-oxazole

There total 7 articles about 5-(4-Methylphenyl)-1,3-oxazole 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: 94.0%

p-tosylmethyl isocyanide + (4-methylphenyl)(oxo)acetic acid (7163-50-0) → 5-(4-methylphenyl)-1,3-oxazole (143659-19-2)

Guidance literature:

(4-methylphenyl)(oxo)acetic acid; With potassium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

p-tosylmethyl isocyanide; With 1,10-Phenanthroline; copper(l) chloride; In 1,2-dimethoxyethane; at 80 ℃; for 8h;

DOI:10.1039/c6ra16031j

Reference yield: 92.0%

[(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) + 4-methyl-benzaldehyde (104-87-0) → 5-(4-methylphenyl)-1,3-oxazole (143659-19-2)

Guidance literature:

With potassium carbonate; at 80 ℃; for 1.5h;

DOI:10.1016/j.bmcl.2014.11.042

Reference yield: 92.0%

4-Methylbenzyl alcohol (589-18-4) + [(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) → 5-(4-methylphenyl)-1,3-oxazole (143659-19-2)

Guidance literature:

With 1,3-dimethylbarbituric acid; potassium hydroxide; In acetonitrile; at 80 ℃;

DOI:10.1016/j.tet.2018.02.046

upstream raw materials:

methyl isocyanate

N,N-dimethyl-4-toluamide

1-(p-toluoyl)-1,2,4-triazole

[(p-methylphenyl)sulfonylmethyl]isonitrile

Downstream raw materials:

2-phenyl-5-p-tolyloxazole

5-(4-methylphenyl)-2-[(triisopropylsilyl)ethynyl]oxazole

5-(4-methylphenyl)-2-[2-(pyridin-2-yl)phenyl]oxazole

5-(4-methylphenyl)-2-{1-(pyrimidin-2-yl)-1H-indol-2-yl}oxazole

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