3-Fluorobenzophenone

Base Information

• Chemical Name: 3-Fluorobenzophenone
• CAS No.: 345-69-7
• Molecular Formula: C13H9FO
• Molecular Weight: 200.212
• Hs Code.: 2914700090
• European Community (EC) Number: 642-541-0
• DSSTox Substance ID: DTXSID60381403
• Nikkaji Number: J1.277.688H
• Wikidata: Q72479184
• Mol file: 345-69-7.mol

Synonyms:3-Fluorobenzophenone;345-69-7;(3-Fluorophenyl)(Phenyl)Methanone;(3-fluorophenyl)-phenylmethanone;(3-Fluoro-phenyl)-phenyl-methanone;MFCD00083553;m-fluorobenzophenone;SCHEMBL3834026;DTXSID60381403;AMY31897;AKOS005258040;AS-40392;CS-0206079;FT-0631993;A822280

Chemical Property of 3-Fluorobenzophenone

Chemical Property:

• Melting Point: 48-52℃
• Boiling Point: 305.6 °C at 760 mmHg
• Flash Point: 131.2 °C
• PSA: 17.07000
• Density: 1.165 g/cm³
• LogP: 3.05670
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.063743068
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

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

3-Fluorobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)F

Technology Process of 3-Fluorobenzophenone

There total 46 articles about 3-Fluorobenzophenone 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: 98.0%

1-(3-fluorobenzoyl)piperidine-2,6-dione + phenylboronic acid (98-80-6) → 3-fluorobenzophenone (345-69-7)

Guidance literature:

With (bis(tricyclohexyl)phosphine)palladium(II) dichloride; boric acid; potassium carbonate; In tetrahydrofuran; at 20 - 120 ℃; for 15h; Inert atmosphere; Schlenk technique;

DOI:10.1002/adsc.202000122

Reference yield: 93.0%

triethoxyphenylsilane (780-69-8) + 1-(3-fluorobenzoyl)piperidine-2,6-dione → 3-fluorobenzophenone (345-69-7)

Guidance literature:

With lithium acetate; palladium diacetate; triethylamine tris(hydrogen fluoride); tricyclohexylphosphine; In 1,4-dioxane; water; at 90 ℃; for 6h;

DOI:10.1021/acs.orglett.0c03260

Reference yield: 92.0%

carbon monoxide (201230-82-2) + 1-Fluoro-3-iodobenzene (1121-86-4) + phenylboronic acid (98-80-6) → 3-fluorobenzophenone (345-69-7)

Guidance literature:

With iron(III) chloride; potassium acetate; sodium hydrogencarbonate; iron(II) chloride; at 100 ℃; for 3h; under 760.051 Torr; Schlenk technique;

DOI:10.1039/c4cc00688g

upstream raw materials:

Phenetole

3-fluorobenzoyl chloride

benzene

(3-fluorophenyl)trimethylsilane

Downstream raw materials:

2,2-dimethyl-1,1-diphenyl-propan-1-ol

3-fluorobenzhydryl chloride

C₁₃H₉⁽¹⁸⁾FO

2-(((3-fluorophenyl)(diphenyl)methyl)sulfanyl)ethanamine

Refernces

• 1、 Ma, Yangmin,Shao, Lei,Szostak, Michal,Wang, Ruihong,Zhang, Jin,Zhang, Pei. "Mechanochemical Solvent-Free Suzuki–Miyaura Cross-Coupling of Amides via Highly Chemoselective N?C Cleavage". supporting information. . Retrieved 2022/01/04.
• 2、 Li, Guangchen,Szostak, Michal. "Kinetically Controlled, Highly Chemoselective Acylation of Functionalized Grignard Reagents with Amides by N?C Cleavage". supporting information. p. 611 - 615. Retrieved 2020/01/02.