Benzaldehyde, 2-hydroxy-5-nitro-, oxime

Base Information

• Chemical Name: Benzaldehyde, 2-hydroxy-5-nitro-, oxime
• CAS No.: 1595-15-9
• Molecular Formula: C7H6 N2 O4
• Molecular Weight: 182.136
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID1061811
• Mol file: 1595-15-9.mol

Synonyms:Benzaldehyde, 2-hydroxy-5-nitro-, oxime;2-(hydroxyiminomethyl)-4-nitrophenol;1595-15-9;2-hydroxy-5-nitrobenzaldehyde oxime;Oprea1_492775;Oprea1_723873;5-nitro-2-hydroxy benzaldoxime;DTXSID1061811;DVBKBUGAIYQNOE-UHFFFAOYSA-N;FT-0772388

Chemical Property of Benzaldehyde, 2-hydroxy-5-nitro-, oxime

Chemical Property:

• Vapor Pressure: 0.00018mmHg at 25°C
• Melting Point: 175-178 °C(Solv: ethanol (64-17-5))
• Boiling Point: 293.6°C at 760 mmHg
• PKA: 6.00±0.30(Predicted)
• Flash Point: 131.4°C
• PSA: 98.64000
• Density: 1.51g/cm³
• LogP: 1.63170
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 182.03275668
• Heavy Atom Count: 13
• Complexity: 213

Purity/Quality:

98%min ^*data from raw suppliers

2-hydroxy-5-nitrobenzaldehydeoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C=NO)O

Technology Process of Benzaldehyde, 2-hydroxy-5-nitro-, oxime

There total 3 articles about Benzaldehyde, 2-hydroxy-5-nitro-, oxime 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: 92.0%

5-Nitrosalicylaldehyde (97-51-8) → 2-hydroxy-5-nitro-benzaldehyde oxime (1595-15-9)

Guidance literature:

With hydroxylamine hydrochloride; In methanol; water; at 20 ℃; for 1h; pH=3.98; regioselective reaction; Catalytic behavior;

DOI:10.1080/24701556.2021.2025098

Reference yield: 75.0%

2-hydroxy-5-nitrobenzyl alcohol (39224-61-8) → 2-hydroxy-5-nitro-benzaldehyde oxime (1595-15-9)

Guidance literature:

2-hydroxy-5-nitrobenzyl alcohol; With dihydrogen peroxide; at 20 ℃; for 0.166667h; Green chemistry;

With hydroxylamine hydrochloride; for 7h; Catalytic behavior; Green chemistry;

DOI:10.1016/j.molstruc.2019.03.008

Reference yield:

→ 2-hydroxy-5-nitro-benzaldehyde oxime (1595-15-9)

Guidance literature:

upstream raw materials:

5-Nitrosalicylaldehyde

2-hydroxy-5-nitrobenzyl alcohol

Downstream raw materials:

5-nitro-2-hydroxybenzonitrile

Acetic acid 2-cyano-4-nitro-phenyl ester

5-Nitro-benzo[d]isoxazole

Refernces

• 1、 Demir, Emine,Goksu, Haydar,Orhan, Ersin. "A catalytic regioselective procedure for the synthesis of aryl oximes in the presence of palladium nanoparticles". . . Retrieved 2022/01/20.
• 2、 Calixto, Stephane Lima,Carvalho, Guilherme da Silva Louren?o,Coimbra, Elaine Soares,Granato, Juliana da Trindade,Louren?o, Maria Cristina da Silva,Wardell, James,da Costa, Cristiane Fran?a,de Souza, Marcus Vinicius Nora. "Synthesis and SAR study of simple aryl oximes and nitrofuranyl derivatives with potent activity against Mycobacterium tuberculosis". . p. 12 - 20. Retrieved 2020/02/06.