2-(3-Chloropropyl)-1,3-benzoxazole

Base Information

• Chemical Name: 2-(3-Chloropropyl)-1,3-benzoxazole
• CAS No.: 51111-00-3
• Molecular Formula: C10H10ClNO
• Molecular Weight: 195.648
• European Community (EC) Number: 862-707-8
• Nikkaji Number: J1.911.555K

Synonyms:2-(3-chloropropyl)-1,3-benzoxazole;51111-00-3;SCHEMBL2986628;AKOS009236361;EN300-50974

Chemical Property of 2-(3-Chloropropyl)-1,3-benzoxazole

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 195.0450916
• Heavy Atom Count: 13
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(O2)CCCCl

Technology Process of 2-(3-Chloropropyl)-1,3-benzoxazole

There total 1 articles about 2-(3-Chloropropyl)-1,3-benzoxazole 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:

7-chloro-1,3-heptadiyne (98550-64-2) + 2-amino-phenol (95-55-6) → 2-(3-chloropropyl)benzo[d]oxazole (51111-00-3) + 2-methyl-1,3-benzoxazole (95-21-6)

Guidance literature:

With ammonium hexafluorophosphate; dodecacarbonyl-triangulo-triruthenium; In methanol; at 80 ℃; for 20h;

DOI:10.1021/ja034105o

Reference yield: 37.0%

2-(3-chloropropyl)benzo[d]oxazole (51111-00-3) + 4-(4-chlorophenyl) piperazine (38212-33-8) → 2-(3-(4-(4-chlorophenyl)piperazin-1-yl)propyl)benzo[d]oxazole (1610700-19-0)

Guidance literature:

With potassium carbonate; In acetonitrile; Reflux;

DOI:10.1016/j.bmc.2014.04.026

upstream raw materials:

7-chloro-1,3-heptadiyne

2-amino-phenol

Downstream raw materials:

2-(3-(4-(4-chlorophenyl)piperazin-1-yl)propyl)benzo[d]oxazole

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