5-(3-Chlorophenyl)oxazole

Base Information

• Chemical Name: 5-(3-Chlorophenyl)oxazole
• CAS No.: 89808-76-4
• Molecular Formula: C₉H₆ClNO
• Molecular Weight: 179.606
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00370952
• Nikkaji Number: J1.142.652B
• Wikidata: Q82158143
• Mol file: 89808-76-4.mol

Synonyms:5-(3-Chlorophenyl)oxazole;89808-76-4;5-(3-chlorophenyl)-1,3-oxazole;Oxazole, 5-(3-chlorophenyl)-;MFCD00084974;Maybridge1_007374;SCHEMBL18394452;HMS562H04;DTXSID00370952;BAA00894;AKOS005254939;PS-5931;SY012505;CS-0127307;FT-0619622;A843326

Chemical Property of 5-(3-Chlorophenyl)oxazole

Chemical Property:

• Vapor Pressure: 0.0089mmHg at 25°C
• Melting Point: 46-48°C
• Refractive Index: 1.559
• Boiling Point: 297.2 °C at 760 mmHg
• Flash Point: 133.5 °C
• PSA: 26.03000
• Density: 1.258g/cm³
• LogP: 2.99500
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.0137915
• Heavy Atom Count: 12
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

5-(3-Chlorophenyl)oxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(3-Chlorophenyl)oxazole

There total 4 articles about 5-(3-Chlorophenyl)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: 77.0%

N,N,N′,N′-tetramethyl-N″-tert-butylguanidine (29166-72-1) + m-Chlorobenzaldehyde (587-04-2) → 5-(3-chlorophenyl)-1,3-oxazole (89808-76-4)

Guidance literature:

With [(p-methylphenyl)sulfonylmethyl]isonitrile; In acetonitrile; at 70 ℃; for 12h;

DOI:10.1021/ol006912n

Reference yield: 72.0%

[(p-methylphenyl)sulfonylmethyl]isonitrile (38622-91-2,36635-61-7) + m-Chlorobenzaldehyde (587-04-2) → 5-(3-chlorophenyl)-1,3-oxazole (89808-76-4)

Guidance literature:

Ambersep 900 OH resin; In methanol; 1,2-dimethoxyethane; for 8h; Heating;

DOI:10.1016/S0040-4039(99)01050-3

Reference yield: 58.0%

oxazol (288-42-6) + 1-bromo-3-chlorobenzene (108-37-2) → 5-(3-chlorophenyl)-1,3-oxazole (89808-76-4)

Guidance literature:

With potassium acetate; palladium diacetate; In N,N-dimethyl acetamide; at 110 ℃; for 24h; regioselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201900641

upstream raw materials:

[(p-methylphenyl)sulfonylmethyl]isonitrile

m-Chlorobenzaldehyde

N,N,N′,N′-tetramethyl-N″-tert-butylguanidine

oxazol

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