2-Methyl-6-phenylbenzoxazole

Base Information

• Chemical Name: 2-Methyl-6-phenylbenzoxazole
• CAS No.: 61309-99-7
• Molecular Formula: C14H11NO
• Molecular Weight: 209.247
• DSSTox Substance ID: DTXSID00349562
• Nikkaji Number: J574.310I
• Wikidata: Q72494686
• ChEMBL ID: CHEMBL1379098
• Mol file: 61309-99-7.mol

Synonyms:2-METHYL-6-PHENYLBENZOXAZOLE;61309-99-7;2-methyl-6-phenyl-1,3-benzoxazole;2-Methyl-6-phenyl-benzooxazole;BAS 01053442;SMR000009878;MLS000034122;CHEMBL1379098;SCHEMBL12597036;DTXSID00349562;2-Methyl-6-phenylbenzo[d]oxazole;HMS2310G10;AKOS000507841;Z2049902825

Chemical Property of 2-Methyl-6-phenylbenzoxazole

Chemical Property:

• Boiling Point: 350 °C at 760 mmHg
• Flash Point: 144.7 °C
• PSA: 26.03000
• Density: 1.155 g/cm³
• LogP: 3.80320
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 209.084063974
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

98%Min ^*data from raw suppliers

2-METHYL-6-PHENYLBENZOXAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(O1)C=C(C=C2)C3=CC=CC=C3

Technology Process of 2-Methyl-6-phenylbenzoxazole

There total 3 articles about 2-Methyl-6-phenylbenzoxazole 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: 81.0%

6-bromo-2- methylbenzo[d]oxazole (151230-42-1) + phenylboronic acid (98-80-6) → 2-Methyl-6-phenylbenzoxazole (61309-99-7)

Guidance literature:

With potassium phosphate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; water; at 150 ℃; for 0.666667h; Inert atmosphere; Microwave irradiation;

Reference yield: 5.3%

d(4)-methanol (811-98-3) + N-(Sulfonatooxy)-4-(acetylamino)biphenyl potassium salt → 2-Methyl-6-phenylbenzoxazole (61309-99-7) + N-Hydroxy-4-acetylaminonbiphenyl (4463-22-3) + 2-hydroxy-4-phenylacetanilide (13347-44-9) + C15H12(2)H3NO2 + C15H12(2)H3NO2 + C15H12(2)H3NO2

Guidance literature:

at 50 ℃; Rate constant; Mechanism;

DOI:10.1021/jo00079a028

Reference yield:

N-(Sulfonatooxy)-4-(acetylamino)biphenyl potassium salt → 2-Methyl-6-phenylbenzoxazole (61309-99-7)

Guidance literature:

In methanol; at 50 ℃;

DOI:10.1021/jo00079a028

upstream raw materials:

d⁽⁴⁾-methanol

6-bromo-2- methylbenzo[d]oxazole

phenylboronic acid

Downstream raw materials:

6-chloro-2-{4-[2-(6-phenyl-benzooxazol-2-yl)-vinyl]-phenyl}-[1,2,4]triazolo[1,5-a]pyridine

2-{4-[2-(6-phenyl-benzooxazol-2-yl)-vinyl]-phenyl}-[1,2,4]triazolo[1,5-a]pyridine

6-phenyl-2-[4-(4-phenyl-[1,2,3]triazol-2-yl)-styryl]-benzooxazole

6-phenyl-2-[4-(2-phenyl-2H-[1,2,3]triazol-4-yl)-styryl]-benzooxazole

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