2-Propylbenzoxazole

Base Information

• Chemical Name: 2-Propylbenzoxazole
• CAS No.: 2008-05-1
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• DSSTox Substance ID: DTXSID70496774
• Nikkaji Number: J1.772.126G
• Wikidata: Q82345875
• Mol file: 2008-05-1.mol

Synonyms:2008-05-1;2-Propylbenzoxazole;2-Propyl-1,3-benzoxazole;SCHEMBL1748040;DTXSID70496774

Chemical Property of 2-Propylbenzoxazole

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 149

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=NC2=CC=CC=C2O1

Technology Process of 2-Propylbenzoxazole

There total 2 articles about 2-Propylbenzoxazole 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: 45.0%

dibutylamine (111-92-2) + 2-amino-phenol (95-55-6) → 2-propylbenzo[d]oxazole (2008-05-1) + N-butyl(o-amino)phenol (4280-57-3)

Guidance literature:

With 10% Pd/C; In 1,2-dimethoxyethane; at 170 ℃; for 1.5h; under 15514.9 Torr; Microwave irradiation; Inert atmosphere;

DOI:10.1002/adsc.201200253 DOI:10.1002/adsc.201200253

Reference yield:

1-phenyl-1-pentyne (4250-81-1) + 2-amino-phenol (95-55-6) → 2-propylbenzo[d]oxazole (2008-05-1) + 2-phenylbenzo[d]oxazole (833-50-1)

Guidance literature:

With palladium dichloride; In chlorobenzene; for 18h; Overall yield = 71 %; Reflux;

DOI:10.1039/c3gc42499e

Reference yield: 93.0%

2-propylbenzo[d]oxazole (2008-05-1) → 3-(2-benzoxazolyl)-4-(o-hydroxyanilino)-3-heptene (102970-92-3)

Guidance literature:

With n-butyl magnesium bromide; ammonium chloride; In tetrahydrofuran; for 8h; Heating;

DOI:10.1016/S0040-4020(01)96661-X

upstream raw materials:

dibutylamine

2-amino-phenol

1-phenyl-1-pentyne

Downstream raw materials:

2-(1-Propyl-1-prop-2-ynyl-but-3-ynylamino)-phenol

3-(2-benzoxazolyl)-4-(o-hydroxyanilino)-3-heptene