2-Fluoro-4'-methoxybenzophenone

Base Information

• Chemical Name: 2-Fluoro-4'-methoxybenzophenone
• CAS No.: 66938-29-2
• Molecular Formula: C14H11FO2
• Molecular Weight: 230.239
• Hs Code.: 2914700090
• European Community (EC) Number: 675-383-6
• DSSTox Substance ID: DTXSID30382523
• Nikkaji Number: J1.936.423B
• Wikidata: Q82173882
• Mol file: 66938-29-2.mol

Synonyms:2-Fluoro-4'-methoxybenzophenone;66938-29-2;(2-fluorophenyl)(4-methoxyphenyl)methanone;(2-fluorophenyl)-(4-methoxyphenyl)methanone;MFCD00749331;Methanone,(2-fluorophenyl)(4-methoxyphenyl)-;SCHEMBL3244189;DTXSID30382523;POAARNGQBDUHLI-UHFFFAOYSA-N;AKOS001482740;FT-0612338;(2-fluoro-phenyl)-(4-methoxy-phenyl)-methanone;A835591;SR-01000394506;SR-01000394506-1

Chemical Property of 2-Fluoro-4'-methoxybenzophenone

Chemical Property:

• Melting Point: 55-57 °C
• Boiling Point: 366.4 °C at 760 mmHg
• Flash Point: 169.4 °C
• PSA: 26.30000
• Density: 1.176 g/cm³
• LogP: 3.06530
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 230.07430775
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

2-fluoro-4'-methoxybenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2F

Technology Process of 2-Fluoro-4'-methoxybenzophenone

There total 13 articles about 2-Fluoro-4'-methoxybenzophenone 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: 83.0%

1,3-dioxoisoindolin-2-yl 4-methoxybenzoate (67695-80-1) + o-fluorophenylboronic acid (1993-03-9) → (2-fluorophenyl)(4-methoxyphenyl)methanone (66938-29-2)

Guidance literature:

o-fluorophenylboronic acid; With 2,5,6,7-tetrahydro-2-phenyl-3H-pyrrolo[2,1-c]-1,2,4-triazol-3-ylidenium chloride; palladium diacetate; caesium carbonate; In toluene; for 0.333333h; Inert atmosphere;

1,3-dioxoisoindolin-2-yl 4-methoxybenzoate; In toluene; at 60 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.tetlet.2014.09.133

Reference yield: 81.0%

4-methoxyphenylboronic acid (5720-07-0) + 2-Fluorobenzaldehyde (446-52-6) → (2-fluorophenyl)(4-methoxyphenyl)methanone (66938-29-2)

Guidance literature:

With potassium phosphate; platinacycle; pentan-3-one; In toluene; at 90 - 100 ℃;

DOI:10.1021/jo101469s

Reference yield: 75.0%

carbon monoxide (201230-82-2) + para-iodoanisole (696-62-8) + o-fluorophenylboronic acid (1993-03-9) → (2-fluorophenyl)(4-methoxyphenyl)methanone (66938-29-2)

Guidance literature:

With ```````; potassium carbonate; In 5,5-dimethyl-1,3-cyclohexadiene; at 80 ℃; under 760.051 Torr;

DOI:10.1021/acs.organomet.1c00226

upstream raw materials:

methoxybenzene

2-Fluorobenzoyl chloride

4-methoxyphenylboronic acid

2-Fluorobenzaldehyde

Downstream raw materials:

C₁₈H₁₅NO₄

(4-amino-3-nitrophenyl)-(2-fluorophenyl)methanone

(2-fluorophenyl)(4-hydroxy-3-iodophenyl)methanone

Refernces

• 1、 Zhang, Chuan-Tao,Zhu, Rui,Wang, Zheng,Ma, Bing,Zajac, Adrian,Smiglak, Marcin,Xia, Chun-Nian,Castle, Steven L.,Wang, Wen-Long. "Continuous flow synthesis of diaryl ketones by coupling of aryl Grignard reagents with acyl chlorides under mild conditions in the ecofriendly solvent 2-methyltetrahydrofuran". . p. 2199 - 2204. Retrieved 2019/01/26.
• 2、 Yu, Zhiyi,Van Veldhoven, Jacobus P.D.,'T Hart, Ingrid M.E.,Kopf, Adrian H.,Heitman, Laura H.,Ijzerman, Adriaan P.. "Synthesis and biological evaluation of negative allosteric modulators of the Kv11.1(hERG) channel". supporting information. p. 50 - 59. Retrieved 2015/11/23.