2-Isopropylbenzo[d]oxazole

Base Information

• Chemical Name: 2-Isopropylbenzo[d]oxazole
• CAS No.: 6797-15-5
• Molecular Formula: C10H11NO
• Molecular Weight: 161.203
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID501309575
• Nikkaji Number: J2.135.441D
• Mol file: 6797-15-5.mol

Synonyms:6797-15-5;2-Isopropylbenzo[d]oxazole;2-iso-Propylbenzoxazole;SCHEMBL86097;2-(1-Methylethyl)benzoxazole;DTXSID501309575;Benzoxazole,2-(1-methylethyl)-(9ci)

Chemical Property of 2-Isopropylbenzo[d]oxazole

Chemical Property:

• PSA: 26.03000
• LogP: 2.95120
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=NC2=CC=CC=C2O1

Technology Process of 2-Isopropylbenzo[d]oxazole

There total 18 articles about 2-Isopropylbenzo[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: 99.0%

N-(2-bromophenyl)isobutyramide (430458-62-1) → 2-isopropyl-1,3-benzoxazole (6797-15-5)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate; In 1,2-dimethoxyethane; for 24h; Heating;

DOI:10.1021/jo051927q

Reference yield: 86.0%

benzoxazole (273-53-0,29791-96-6) + 2-iodo-propane (75-30-9) → 2-isopropyl-1,3-benzoxazole (6797-15-5)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; 1,3-bis-(diphenylphosphino)propane; caesium carbonate; at 110 ℃; for 44h; regioselective reaction; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201408355

Reference yield: 74.0%

isobutyraldehyde (78-84-2) + 2-amino-phenol (95-55-6) → 2-isopropyl-1,3-benzoxazole (6797-15-5)

Guidance literature:

With samarium(III) trifluoromethanesulfonate; In ethanol; water; at 50 - 60 ℃; for 4.5h; Green chemistry;

DOI:10.1055/s-0033-1339758

upstream raw materials:

2-amino-phenol

isobutyric Acid

2-methyl-propan-1-ol

2-hydroxynitrobenzene

Downstream raw materials:

2-methylheptan-3-one

2-amino-phenol

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