Nifurquinazol

Base Information

• Chemical Name: Nifurquinazol
• CAS No.: 5055-20-9
• Molecular Formula: C₁₆H₁₆N₄O₅
• Molecular Weight: 344.327
• Hs Code.: 2934999090
• NSC Number: 220589
• UNII: 44E5RRL600
• DSSTox Substance ID: DTXSID50198582
• Nikkaji Number: J8.803J
• Wikipedia: Nifurquinazol
• Wikidata: Q15409366
• NCI Thesaurus Code: C91015
• ChEMBL ID: CHEMBL2107101
• Mol file: 5055-20-9.mol

Synonyms:NIFURQUINAZOL;Nifurquinazole;5055-20-9;NF-1088;Nifurchinazolo;Nifurchinazolo [DCIT];Nifurquinazolum;NF 1088;Nifurquinazol [USAN:INN];Nifurquinazolum [INN-Latin];NSC 22058;NSC 220589;NSC-220589;BRN 1092044;UNII-44E5RRL600;4-Bis(2-hydroxyethyl)amino-2-(5-nitro-2-furyl)quinazoline;2,2'-((2-(5-Nitro-2-furyl)-4-quinazolinyl)imino)diethanol;Quinazoline, 4-bis(2-hydroxyethyl)amino-2-(5-nitro-2-furyl)-;44E5RRL600;C16H16N4O5;2-[2-hydroxyethyl-[2-(5-nitrofuran-2-yl)quinazolin-4-yl]amino]ethanol;NSC220589;N-(2-(5-Nitro-2-furyl)-4-chinazolinyl)-2,2-iminodiethanol;Ethanol, 2,2'-((2-(5-nitro-2-furanyl)-4-quinazolinyl)imino)bis-;Ethanol, 2,2'-((2-(5-nitro-2-furyl)-4-quinazolinyl)imino)di-;2,2'-[[2-(5-Nitro-2-furyl)-4-quinazolinyl]imino]diethanol;Ethanol, 2,2'-[[2-(5-nitro-2-furanyl)-4-quinazolinyl]imino]bis-;Ethanol, 2,2'-[[2-(5-nitro-2-furyl)-4-quinazolinyl]imino]di-;NIFURQUINAZOL [INN];Nifurquinazol (USAN/INN);NIFURQUINAZOL [USAN];SCHEMBL193816;CHEMBL2107101;GTPL12344;DTXSID50198582;ZINC00001810;LS-140010;D05164;1-O-T-BUTYLDIMETHYLSILYL2-AZIDO-2-DEOX&;WLN: T66 BN DNJ EN2Q2Q C- BT5OJ ENW;Q15409366;Ethanol,2'-[[2-(5-nitro-2-furyl)-4-quinazolinyl]imino]di-;Ethanol,2'-[[2-(5-nitro-2-furanyl)-4-quinazolinyl]imino]bis-;2-[2-hydroxyethyl-[2-(5-nitro-2-furyl)quinazolin-4-yl]amino]ethanol;Ethanol, 2,2'-[[2- (5-nitro-2-furanyl)-4-quinazolinyl]imino]bis-

Chemical Property of Nifurquinazol

Chemical Property:

• Vapor Pressure: 2.69E-10mmHg at 25°C
• Melting Point: 167.5°C
• Refractive Index: 1.6000 (estimate)
• Boiling Point: 487°Cat760mmHg
• PKA: 13.89±0.10(Predicted)
• Flash Point: 248.3°C
• PSA: 128.44000
• Density: 1.459g/cm³
• LogP: 2.11220
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 344.11206962
• Heavy Atom Count: 25
• Complexity: 443

Purity/Quality:

99% ^*data from raw suppliers

Nifurquinazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(O3)[N+](=O)[O-])N(CCO)CCO
• Uses: Antibacterial.

Technology Process of Nifurquinazol

There total 5 articles about Nifurquinazol 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:

2-(5-nitrofuran-2-yl)quinazolin-4(3H)-one (6023-96-7) → nifurquinazol (5055-20-9)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₅ / POCl₃

2: dimethylformamide / Heating

With phosphorus pentachloride; In N,N-dimethyl-formamide; trichlorophosphate;

DOI:10.1021/jm00321a034

Reference yield:

5-Nitrofuran-2-carboxylic acid ethyl iminoester hydrochloride (1615-09-4) → nifurquinazol (5055-20-9)

Guidance literature:

Multi-step reaction with 3 steps

1: NaOMe / methanol

2: PCl₅ / POCl₃

3: dimethylformamide / Heating

With phosphorus pentachloride; sodium methylate; In methanol; N,N-dimethyl-formamide; trichlorophosphate;

DOI:10.1021/jm00321a034

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → nifurquinazol (5055-20-9)

Guidance literature:

Multi-step reaction with 3 steps

1: NaOMe / methanol

2: PCl₅ / POCl₃

3: dimethylformamide / Heating

With phosphorus pentachloride; sodium methylate; In methanol; N,N-dimethyl-formamide; trichlorophosphate;

DOI:10.1021/jm00321a034

upstream raw materials:

4-chloro-2-(5-nitro-furan-2-yl)-quinazoline

2,2'-iminobis[ethanol]

2-(5-nitrofuran-2-yl)quinazolin-4(3H)-one

5-Nitrofuran-2-carboxylic acid ethyl iminoester hydrochloride

Refernces