5-NITRO-1,2-BENZISOXAZOLE

Base Information

• Chemical Name: 5-NITRO-1,2-BENZISOXAZOLE
• CAS No.: 39835-28-4
• Molecular Formula: C7H4N2O3
• Molecular Weight: 164.12
• Hs Code.: 2934999090
• Mol file: 39835-28-4.mol

Synonyms:5-nitro-1,2-benzoxazole;

Chemical Property of 5-NITRO-1,2-BENZISOXAZOLE

Chemical Property:

• Vapor Pressure: 0.00055mmHg at 25°C
• Melting Point: 126-127 °C(Solv: ethanol (64-17-5))
• Boiling Point: 321.7°Cat760mmHg
• PKA: -5.29±0.30(Predicted)
• Flash Point: 148.4°C
• PSA: 71.85000
• Density: 1.473g/cm³
• LogP: 2.25920
• Storage Temp.: 2-8°C

Purity/Quality:

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

5-Nitro-1,2-benzisoxazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-NITRO-1,2-BENZISOXAZOLE

There total 6 articles about 5-NITRO-1,2-BENZISOXAZOLE 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: 87.4%

1,2-benzisoxazole (271-95-4) → 5-Nitro-benzo[d]isoxazole (39835-28-4)

Guidance literature:

With sulfuric acid; nitric acid; at 20 ℃; for 0.666667h;

DOI:10.1002/chem.202100450

Reference yield: 61.0%

2-hydroxy-5-nitro-benzaldehyde oxime (1595-15-9) → 5-Nitro-benzo[d]isoxazole (39835-28-4)

Guidance literature:

With Trichloroacetyl isocyanate; In tetrahydrofuran; for 0.166667h; Ambient temperature;

DOI:10.1021/jo00163a042

Reference yield: 11.0%

5-Nitrosalicylaldehyde (97-51-8) → 5-Nitro-benzo[d]isoxazole (39835-28-4) + 5-nitro-2-hydroxybenzonitrile (39835-09-1)

Guidance literature:

With trimethylsilylazide; zirconium(IV) chloride; In acetonitrile; at 20 ℃;

DOI:10.1021/acs.joc.5b01305

upstream raw materials:

5-Nitrosalicylaldehyde

1,2-benzisoxazole

2-hydroxy-5-nitro-benzaldehyde oxime

Downstream raw materials:

5-nitro-2-hydroxybenzonitrile

2-hydroxy-4-nitro-benzonitrile

benzo[d]-isoxazol-5-amine

5-Nitro-N-ethyl-salicylamid

Refernces

• 1、 Feng, Juan,Zhao, Ming,Lin, Xuanzi. "[3 + 2]-Cycloaddition of Azaoxyallyl Cations with 1,2-Benzisoxazoles: A Rapid Entry to Oxazolines". . p. 9548 - 9560. Retrieved 2019/08/26.
• 2、 -. "4-Piperidinecarboxamide modulators of vanilloid VR1 receptor". Page/Page column 51. . Retrieved 2010/11/08.