Benzoxazole, 2-(4-methylphenyl)-

Base Information

• Chemical Name: Benzoxazole, 2-(4-methylphenyl)-
• CAS No.: 835-71-2
• Molecular Formula: C14H11NO
• Molecular Weight: 209.247
• Hs Code.: 2934999090
• European Community (EC) Number: 212-643-6
• UNII: L1I691076X
• DSSTox Substance ID: DTXSID7052575
• Nikkaji Number: J195.106H
• Wikidata: Q27282588
• Mol file: 835-71-2.mol

Synonyms:2-(p-tolyl)benzoxazole;835-71-2;2-(4-Methylphenyl)benzoxazole;2-(4-methylphenyl)-1,3-benzoxazole;Benzoxazole, 2-(4-methylphenyl)-;2-p-Tolylbenzoxazole;Benzoxazole, 2-p-tolyl-;CCRIS 7878;R 619;EINECS 212-643-6;2-(p-tolyl)benzo[d]oxazole;UNII-L1I691076X;MFCD00042917;L1I691076X;2-(p-tolyl)-benzoxazole;2-p-tolyl-benzoxazole;2-p-Tolyl-benzooxazole;2-(p-tolyl)-benzooxazole;SCHEMBL592308;DTXSID7052575;4-(2-BENZOXAZOLYL)TOLUENE;BBL009456;STK294618;AKOS000299885;AS-16138;LS-42208;SY033768;2-(4-METHYLPHENYL)BENZO(D)OXAZOLE;AB00540803;BB 0244260;CS-0313866;FT-0658898;A840603;Q27282588

Chemical Property of Benzoxazole, 2-(4-methylphenyl)-

Chemical Property:

• Vapor Pressure: 0.00118mmHg at 25°C
• Melting Point: 112-114 °C
• Refractive Index: 1.623
• Boiling Point: 309.2 °C at 760 mmHg
• PKA: 1.24±0.10(Predicted)
• Flash Point: 125.4 °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: 235

Purity/Quality:

98% ^*data from raw suppliers

2-(p-Tolyl)benzoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2

Technology Process of Benzoxazole, 2-(4-methylphenyl)-

There total 141 articles about Benzoxazole, 2-(4-methylphenyl)- 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%

4-methyl-benzaldehyde (104-87-0) + 2-hydroxynitrobenzene (88-75-5,78813-12-4) → 2-(4-methylphenyl)-1,3-benzoxazole (835-71-2)

Guidance literature:

With formic acid; In 1,4-dioxane; water; at 80 ℃; for 8h; Sealed tube; Green chemistry;

DOI:10.1021/jacs.7b01983

Reference yield: 99.0%

4-methyl-benzoyl chloride (874-60-2) + 2-bromoaniline (615-36-1) → 2-(4-methylphenyl)-1,3-benzoxazole (835-71-2)

Guidance literature:

With 1,10-Phenanthroline; potassium carbonate; In acetonitrile; at 90 ℃; for 1.5h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.tetlet.2015.10.078

Reference yield: 99.0%

N-(2-bromophenyl)-4-methylbenzamide (346720-06-7) → 2-(4-methylphenyl)-1,3-benzoxazole (835-71-2)

Guidance literature:

With copper(II) ferrite; potassium carbonate; In dimethyl sulfoxide; at 120 ℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1055/s-0033-1340599

upstream raw materials:

2-p-tolyl-Cinchoninic acid

2-aminophenol hydrochloride

para-methylbenzonitrile

2-amino-phenol

Downstream raw materials:

2-{4-[(E)-2-(4-Pyrimidin-2-yl-phenyl)-vinyl]-phenyl}-benzooxazole

4-(2-benzoxazolyl)benzal dibromide

2-(4-bromomethylphenyl)benzoxazole

6-chloro-2-(4-methylphenyl)benzoxazole

Refernces

• 1、 Chakraborty, Gargi,Guin, Amit Kumar,Mondal, Rakesh,Paul, Nanda. "Nickel catalyzed sustainable synthesis of benzazoles and purines: Via acceptorless dehydrogenative coupling and borrowing hydrogen approach". . p. 7217 - 7233. Retrieved 2021/08/30.
• 2、 Sudhakar, Chithaluri,Shekhar, Vanam,Shyamsunder, Manchi,Suryakumari, Adurthi,Manojkumar, Vala. "An efficient rapid synthesis of benzoxazoles and benzothiazoles using pma.Sio2 at room temperature under heterogeneous conditions". . p. 583 - 587. Retrieved 2021/09/30.