2-(4-Ethyl-phenyl)-benzooxazole

Base Information

• Chemical Name: 2-(4-Ethyl-phenyl)-benzooxazole
• CAS No.: 37135-35-6
• Molecular Formula: C15H13 N O
• Molecular Weight: 223.274
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID60398430
• Nikkaji Number: J2.624.024G
• Wikidata: Q82200377
• Mol file: 37135-35-6.mol

Synonyms:2-(4-Ethyl-phenyl)-benzooxazole;37135-35-6;2-(4-Ethylphenyl)benzoxazole;2-(4-ethylphenyl)-1,3-benzoxazole;2-(4-ethylphenyl)benzo[d]oxazole;2-(4-ethylphenyl) benzoxazole;SCHEMBL11701224;DTXSID60398430;PWDRABLQVUHYAE-UHFFFAOYSA-N;AKOS000452713;AC-20989;FT-0739545

Chemical Property of 2-(4-Ethyl-phenyl)-benzooxazole

Chemical Property:

• Vapor Pressure: 0.000532mmHg at 25°C
• Refractive Index: 1.611
• Boiling Point: 322.3°C at 760 mmHg
• Flash Point: 131.6°C
• PSA: 26.03000
• Density: 1.129g/cm³
• LogP: 4.05720
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 223.099714038
• Heavy Atom Count: 17
• Complexity: 247

Purity/Quality:

2-(4-ETHYL-PHENYL)-BENZOOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2

Technology Process of 2-(4-Ethyl-phenyl)-benzooxazole

There total 11 articles about 2-(4-Ethyl-phenyl)-benzooxazole 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: 97.0%

C15H15NO (389840-52-2) → 2-(4-ethylphenyl)-1,3-benzoxazole (37135-35-6)

Guidance literature:

With dihydrogen peroxide; In dichloromethane; at 20 ℃; for 6h; Green chemistry;

DOI:10.1021/acs.oprd.7b00315

Reference yield: 89.0%

C15H14INO → 2-(4-ethylphenyl)-1,3-benzoxazole (37135-35-6)

Guidance literature:

With caesium carbonate; In ethanol; at 70 ℃; for 4.5h; Green chemistry;

DOI:10.1002/aoc.5066

Reference yield: 85.0%

4-ethyl-N-phenyl benzamide (84270-05-3) → 2-(4-ethylphenyl)-1,3-benzoxazole (37135-35-6)

Guidance literature:

With oxygen; copper(II) bis(trifluoromethanesulfonate); In o-xylene; at 140 ℃; for 28h; under 760.051 Torr;

DOI:10.1002/anie.200801240

upstream raw materials:

4-ethyl-2'-hydroxybenzanilide

4-ethyl-N-phenyl benzamide

benzoxazole

1-ethyl-4-ethynylbenzene

Downstream raw materials:

2-(4-Ethyl-benzylamino)-phenol

2-[4-(1-bromo-ethyl)-phenyl]-benzooxazole

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