4-Fluoro-1H-imidazole

Base Information

• Chemical Name: 4-Fluoro-1H-imidazole
• CAS No.: 30086-17-0
• Molecular Formula: C3H3FN2
• Molecular Weight: 86.0686
• Hs Code.: 2933290090
• European Community (EC) Number: 818-741-0
• NSC Number: 208718
• UNII: C7XE46DI87
• DSSTox Substance ID: DTXSID40184171
• Nikkaji Number: J649.925B
• Wikidata: Q83055052
• Mol file: 30086-17-0.mol

Synonyms:4-fluoroimidazole

Chemical Property of 4-Fluoro-1H-imidazole

Chemical Property:

• Vapor Pressure: 0.0192mmHg at 25°C
• Melting Point: 101-104 °C
• Refractive Index: 1.487
• Boiling Point: 261 °C at 760 mmHg
• PKA: 12.42±0.10(Predicted)
• Flash Point: 111.7 °C
• PSA: 28.68000
• Density: 1.32 g/cm³
• LogP: 0.54880
• Storage Temp.: Refrigerator
• Solubility.: DMSO, Methanol
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 86.02802627
• Heavy Atom Count: 6
• Complexity: 48.1

Purity/Quality:

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

4-Fluoro-1H-imidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(NC=N1)F
• Uses: 4-Fluoro-1H-imidazole is an antiviral agent and inhibitor of polynucleotide biosynthesis.

Technology Process of 4-Fluoro-1H-imidazole

There total 6 articles about 4-Fluoro-1H-imidazole 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: 30.0%

1H-4(5)-nitroimidazole (3034-38-6) → 4-fluoro-1H-imidazole (30086-17-0)

Guidance literature:

With tetrafluoroboric acid; zinc; sodium nitrite; In water; at 20 ℃; Photolysis;

DOI:10.1021/jo060087s

Reference yield:

N,N-dimethyl-1H-imidazole-1-sulfonamide (78162-58-0) → 4-fluoro-1H-imidazole (30086-17-0)

Guidance literature:

N,N-dimethyl-1H-imidazole-1-sulfonamide; In tetrahydrofuran; at -78 ℃; for 0.333333h;

With tert-butyldimethylsilyl chloride; In tetrahydrofuran; at -78 - 20 ℃;

With N-fluorobis(benzenesulfon)imide; In tetrahydrofuran; at -78 ℃; for 1h;

Reference yield:

C9H17FN2Si → 4-fluoro-1H-imidazole (30086-17-0)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 60 ℃; for 2h;

DOI:10.1016/j.bmcl.2010.07.029

upstream raw materials:

1H-4⁽⁵⁾-nitroimidazole

N,N-dimethyl-1H-imidazole-1-sulfonamide

4-amino-1H-imidazole

Downstream raw materials:

methyl {2-[(4-fluoro-1H-imidazol-1-yl)methyl]phenyl}acetate

Refernces

• 1、 Dolensky, Bohumil,Takeuchi, Yoshio,Cohen, Louis A.,Kirk, Kenneth L.. "Synthesis of 4,5-difluoroimidazole". . p. 147 - 148. Retrieved 2001.
• 2、 -. "NOVEL COMPOUNDS". Page/Page column 47; 48. . Retrieved 2010/06/19.
• 3、 Gianotti, Massimo,Corti, Corrado,Fratte, Sonia Delle,Di Fabio, Romano,Leslie, Colin P.,Pavone, Francesca,Piccoli, Laura,Stasi, Luigi,Wigglesworth, Mark J.. "Novel imidazobenzazepine derivatives as dual H1/5-HT 2A antagonists for the treatment of sleep disorders". supporting information; experimental part. p. 5069 - 5073. Retrieved 2010/10/20.