4-Fluoro-4'-nitrobenzophenone

Base Information

• Chemical Name: 4-Fluoro-4'-nitrobenzophenone
• CAS No.: 2195-47-3
• Molecular Formula: C13H8FNO3
• Molecular Weight: 245.21
• Hs Code.: 2914700090
• European Community (EC) Number: 670-565-1
• NSC Number: 141018
• UNII: G4L8FX8EU5
• DSSTox Substance ID: DTXSID80176358
• Nikkaji Number: J308.043I
• Wikidata: Q72475289
• Mol file: 2195-47-3.mol

Synonyms:4-Fluoro-4'-nitrobenzophenone;2195-47-3;(4-fluorophenyl)(4-nitrophenyl)methanone;(4-fluorophenyl)-(4-nitrophenyl)methanone;G4L8FX8EU5;Methanone, (4-fluorophenyl)(4-nitrophenyl)-;MFCD00053428;NSC-141018;C13H8FNO3;Maybridge1_002217;UNII-G4L8FX8EU5;Oprea1_119678;SCHEMBL1642912;HMS547M17;DTXSID80176358;4-(4-fluorobenzoyl)-nitrobenzene;ICDAYOOBGHYICW-UHFFFAOYSA-N;Benzophenone, 4-fluoro-4'-nitro-;NSC141018;AKOS016018334;AS-3264;NSC 141018;A4703;CS-0197024;FT-0618496;(4-fluoro-phenyl)-(4-nitrophenyl)-methanone;(4-fluoro-phenyl)- (4-nitrophenyl)-methanone;(4-Fluoro-phenyl)-(4-nitro-phenyl)-methanone;E78449;W-206692;3,6-Bis(diethylamino)spiro[isobenzofuran-1(3H),9-[9H]xanthene]-3-one

Chemical Property of 4-Fluoro-4'-nitrobenzophenone

Chemical Property:

• Melting Point: 87-89 °C
• Boiling Point: 397.2 °C at 760 mmHg
• Flash Point: 194 °C
• PSA: 62.89000
• Density: 1.335 g/cm³
• LogP: 3.48810
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 245.04882128
• Heavy Atom Count: 18
• Complexity: 313

Purity/Quality:

98%min ^*data from raw suppliers

4-Fluoro-4''-nitrobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)F)[N+](=O)[O-]

Technology Process of 4-Fluoro-4'-nitrobenzophenone

There total 12 articles about 4-Fluoro-4'-nitrobenzophenone 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: 97.7%

fluorobenzene (462-06-6) + 4-nitro-benzoyl chloride (122-04-3) → 4-(4-fluorobenzoyl)-nitrobenzene (2195-47-3)

Guidance literature:

DOI:10.1016/0022-1139(93)02930-D

Reference yield: 92.0%

4-fluoroboronic acid (1765-93-1) + 4-nitro-benzoyl chloride (122-04-3) → 4-(4-fluorobenzoyl)-nitrobenzene (2195-47-3)

Guidance literature:

With sodium hydroxide; In toluene; at 100 ℃; for 2h; Schlenk technique;

DOI:10.1016/j.tetlet.2017.06.048

Reference yield: 91.0%

4-fluoroboronic acid (1765-93-1) + 4-nitrobenzaldehdye (555-16-8) → 4-(4-fluorobenzoyl)-nitrobenzene (2195-47-3)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; caesium carbonate; In toluene; at 120 ℃; for 24h;

DOI:10.1016/j.tetlet.2007.12.074

upstream raw materials:

fluorobenzene

4-nitro-benzoyl chloride

bis(4-nitrophenyl)methane

Diphenylmethane

Downstream raw materials:

(4-Imidazol-1-yl-phenyl)-(4-nitro-phenyl)-methanone

(4-nitro-phenyl)-(4-[1,2,4] triazol-1-yl-phenyl)-methanone

(4-Nitro-phenyl)-(4-[1,2,3]triazol-2-yl-phenyl)-methanone

(4-Nitro-phenyl)-(4-[1,2,3]triazol-1-yl-phenyl)-methanone

Refernces

• 1、 Muniyappan, Nalluchamy,Sabiah, Shahulhameed. "Synthesis, structure, and characterization of picolyl- and benzyl-linked biphenyl palladium N-heterocyclic carbene complexes and their catalytic activity in acylative cross-coupling reactions". . . Retrieved 2020/01/28.
• 2、 Kumar, Promod,Sharma, Anup Kumar,Guntreddi, Tirumaleswararao,Singh, Rahul,Singh, Krishna Nand. "Transition-Metal-Free Regiospecific Aroylation of Nitroarenes Using Ethyl Arylacetates at Room Temperature". supporting information. p. 744 - 747. Retrieved 2018/02/09.