2-Chloro-5-ethylbenzo[d]oxazole

Base Information

• Chemical Name: 2-Chloro-5-ethylbenzo[d]oxazole
• CAS No.: 256519-15-0
• Molecular Formula: C₉H₈ClNO
• Molecular Weight: 181.622
• European Community (EC) Number: 888-102-9
• Mol file: 256519-15-0.mol

Synonyms:256519-15-0;2-Chloro-5-ethylbenzo[d]oxazole;SCHEMBL6739644;2-chloro-5-ethyl-1,3-benzoxazole;AKOS011655143;EN300-1256232

Chemical Property of 2-Chloro-5-ethylbenzo[d]oxazole

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 181.0294416
• Heavy Atom Count: 12
• Complexity: 165

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC2=C(C=C1)OC(=N2)Cl

Technology Process of 2-Chloro-5-ethylbenzo[d]oxazole

There total 3 articles about 2-Chloro-5-ethylbenzo[d]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:

5-Ethyl-benzooxazole-2-thiol (93794-42-4) → 2-Chloro-5-ethyl-benzooxazole (256519-15-0)

Guidance literature:

With phosphorus pentachloride; In benzene; for 2h; Heating;

DOI:10.1021/jm00117a010

Reference yield:

2-amino-4-ethylphenol (94109-11-2) → 2-Chloro-5-ethyl-benzooxazole (256519-15-0)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / ethanol / Heating

2: PCl₅ / toluene / Heating

With potassium hydroxide; phosphorus pentachloride; In ethanol; toluene;

DOI:10.1016/j.bmc.2007.02.054

Reference yield:

4-ethyl-2-nitrophenol (56520-98-0) → 2-Chloro-5-ethyl-benzooxazole (256519-15-0)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Pd-C / ethanol

2: KOH / ethanol / Heating

3: PCl₅ / toluene / Heating

With potassium hydroxide; phosphorus pentachloride; hydrogen; palladium on activated charcoal; In ethanol; toluene;

DOI:10.1016/j.bmc.2007.02.054

upstream raw materials:

5-Ethyl-benzooxazole-2-thiol

2-amino-4-ethylphenol

4-ethyl-2-nitrophenol