5-Nitro-2-furaldehyde oxime

Base Information

• Chemical Name: 5-Nitro-2-furaldehyde oxime
• CAS No.: 555-15-7
• Molecular Formula: C5H4 N2 O4
• Molecular Weight: 156.098
• Hs Code.: 2932190090
• European Community (EC) Number: 228-349-6,209-082-4
• NSC Number: 662
• Nikkaji Number: J3.086D
• NCI Thesaurus Code: C77053
• ChEMBL ID: CHEMBL15721
• Mol file: 555-15-7.mol

Synonyms:nifuroxim;nifuroxime

Chemical Property of 5-Nitro-2-furaldehyde oxime

Chemical Property:

• Melting Point: 160 °C
• Refractive Index: 1.4800 (estimate)
• Boiling Point: 274.8°Cat760mmHg
• PKA: 10.65±0.10(Predicted)
• Flash Point: 120°C
• PSA: 91.55000
• Density: 1.58g/cm³
• LogP: 1.51910
• Storage Temp.: -20°C Freezer
• Sensitive.: Light Sensitive
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 156.01710661
• Heavy Atom Count: 11
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

5-Nitro-2-furaldoxime ^*data from reagent suppliers

Safty Information:

• Statements: 22
• Safety Statements: 22-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=NO
• Isomeric SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=N/O
• Uses: 5-Nitro-2-furaldoxime is a carcinogenic and mutagenic compound.

Technology Process of 5-Nitro-2-furaldehyde oxime

There total 2 articles about 5-Nitro-2-furaldehyde 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: 80.0%

5-nitrofurane-2-carboxaldehyde (698-63-5) → 5-nitrofuran-2-carboxaldehyde (555-15-7)

Guidance literature:

With hydroxylamine hydrochloride; sodium hydroxide; In ethanol; water; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1002/ardp.201900241

Reference yield:

hydroxyamino-(5-nitro-furan-2-yl)-methanol (499979-42-9) → 5-nitrofuran-2-carboxaldehyde (555-15-7)

Guidance literature:

With potassium chloride; In water; at 25 ℃; Kinetics;

DOI:10.1002/kin.10095

Reference yield: 99.0%

tri(o-tolyl)antimony (23822-15-3) + 5-nitrofuran-2-carboxaldehyde (555-15-7) → μ-oxobis[(5-nitrofurfuraldoximato)tri-(o-tolyl)-antimony]

Guidance literature:

With dihydrogen peroxide; In n-heptane; water; at 20 ℃; for 24h;

DOI:10.1134/S1070363216120161

upstream raw materials:

5-nitrofurane-2-carboxaldehyde

hydroxyamino-(5-nitro-furan-2-yl)-methanol

Downstream raw materials:

5-nitrofuran-2-carbonitrile

5-nitro-2-furoic acid

methyl 5-nitrofuran-2-carboxylate

2-Amino-5-(5-nitro-2-furyl)-1,3,4-oxadiazol

Refernces

• 1、 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.
• 2、 Bharate, Sandip B.,Padala, Anil K.,Dar, Bashir A.,Yadav, Rammohan R.,Singh, Baldev,Vishwakarma, Ram A.. "Montmorillonite clay Cu(II) catalyzed domino one-pot multicomponent synthesis of 3,5-disubstituted isoxazoles". supporting information. p. 3558 - 3561. Retrieved 2013/07/05.