4-(4-Nitrophenyl)oxazole

Base Information

• Chemical Name: 4-(4-Nitrophenyl)oxazole
• CAS No.: 13382-61-1
• Molecular Formula: C9H6 N2 O3
• Molecular Weight: 190.158
• Hs Code.: 2934999090
• European Community (EC) Number: 888-536-9
• DSSTox Substance ID: DTXSID60561723
• Wikidata: Q72495619
• Mol file: 13382-61-1.mol

Synonyms:4-(4-nitrophenyl)oxazole;13382-61-1;4-(4-nitrophenyl)-1,3-oxazole;4-(1,3-Oxazole-4-yl)nitro-benzene;Oxazole, 4-(4-nitrophenyl)-;4-(4-nitro-phenyl)-oxazole;SCHEMBL1647496;4-(4-nitrophenyl)-1,3-oxazol;DTXSID60561723;STSISQMFQWBGLZ-UHFFFAOYSA-N;AMY39483;MFCD09032979;AKOS006331500;CS-W022001;DS-16067;A806686;J-513562

Chemical Property of 4-(4-Nitrophenyl)oxazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 186-188 °C(Solv: methanol (67-56-1))
• Boiling Point: 352.597oC at 760 mmHg
• PKA: -0.91±0.10(Predicted)
• Flash Point: 167.045oC
• PSA: 71.85000
• Density: 1.334g/cm3
• LogP: 2.77300
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 190.03784206
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(4-NITROPHENYL)OXAZOLE 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=COC=N2)[N+](=O)[O-]

Technology Process of 4-(4-Nitrophenyl)oxazole

There total 6 articles about 4-(4-Nitrophenyl)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: 42.0%

4-phenyl-1,3-oxazole (20662-89-9) → 4-(4-nitrophenyl)oxazole (13382-61-1)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 20 ℃; for 1.16667h;

Reference yield:

4-Nitrophenacyl bromide (99-81-0) + formamide (77287-34-4,77287-35-5,60100-09-6) → 4-(4-nitrophenyl)oxazole (13382-61-1)

Guidance literature:

at 130 ℃;

DOI:10.1016/S0960-894X(03)00258-0

Reference yield:

para-nitrophenyl bromide (586-78-7) → 4-(4-nitrophenyl)oxazole (13382-61-1)

Guidance literature:

Multi-step reaction with 3 steps

1: Pd(PPh₃)2Cl₂ / dioxane / 2 h / 90 °C

2: NBS; H₂O / tetrahydrofuran / 1 h / 20 °C

3: 130 °C

With bis-triphenylphosphine-palladium(II) chloride; N-Bromosuccinimide; water; In tetrahydrofuran; 1,4-dioxane;

DOI:10.1016/S0960-894X(03)00258-0

upstream raw materials:

formamide

(4-nitrophenyl)ethanone

4-phenyl-1,3-oxazole

4-Nitrophenacyl bromide

Downstream raw materials:

1,4-dihydro-1,4-epoxy-3-(4-nitrophenyl)isoquinoline

4-(oxazol-4-yl)aniline

4-(4-nitrophenyl)-2-phenyloxazole

1-cyclopentyl-4-(4-nitrophenyl)-1H-imidazole

Refernces

• 1、 -. "2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS". Page/Page column 113. . Retrieved 2008/12/05.
• 2、 Whitney, Scott E.,Winters, Michael,Rickborn, Bruce. "Benzyne-Oxazole Cycloadducts: Isolation and Retro-Diels-Alder Reactions". . p. 929 - 935. Retrieved 2007/10/02.