3-Fluoro-3'-methoxybenzophenone

Base Information

• Chemical Name: 3-Fluoro-3'-methoxybenzophenone
• CAS No.: 120553-05-1
• Molecular Formula: C14H11FO2
• Molecular Weight: 230.239
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID20559222
• Wikidata: Q82441876
• Mol file: 120553-05-1.mol

Synonyms:3-FLUORO-3'-METHOXYBENZOPHENONE;120553-05-1;(3-fluorophenyl)-(3-methoxyphenyl)methanone;MFCD01311552;3-Fluoro-3/'-methoxybenzophenone;SCHEMBL9520003;DTXSID20559222;AKOS010013902;(3-Fluorophenyl)(3-methoxyphenyl)methanone;G68375;(3-Fluoro-phenyl)-(3-methoxy-phenyl)-methanone

Chemical Property of 3-Fluoro-3'-methoxybenzophenone

Chemical Property:

• Vapor Pressure: 2.54E-05mmHg at 25°C
• Melting Point: 55-57 °C(Solv: hexane (110-54-3))
• Boiling Point: 358.5°C at 760 mmHg
• Flash Point: 164.9°C
• PSA: 26.30000
• Density: 1.176g/cm³
• LogP: 3.06530
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 230.07430775
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

98%+ ^*data from raw suppliers

3-Fluoro-3'-methoxybenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Fluoro-3'-methoxybenzophenone

There total 2 articles about 3-Fluoro-3'-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: 61.0%

N-(tert-butyl)-3-fluorobenzamide (64181-38-0) + (3-methoxyphenyl)magnesium bromide (36282-40-3) → 3-fluoro-3'-methoxybenzophenone (120553-05-1)

Guidance literature:

N-(tert-butyl)-3-fluorobenzamide; (3-methoxyphenyl)magnesium bromide; With chromium chloride; chloro-trimethyl-silane; In tetrahydrofuran; at 20 ℃; for 12h;

With water; ammonium chloride;

DOI:10.1021/acscatal.8b01380

Reference yield:

→ 3-fluoro-3'-methoxybenzophenone (120553-05-1)

Guidance literature:

Reference yield:

3-fluoro-3'-methoxybenzophenone (120553-05-1) → (2E,4E)-5-(3-Fluoro-phenyl)-5-(3-methoxy-phenyl)-penta-2,4-dienoic acid (4-pyridin-3-yl-butyl)-amide

Guidance literature:

Multi-step reaction with 4 steps

2: 2.) NaOH / 1.) CH₂Cl₂, room temperature, 3 d, 2.) MeOH, H₂O, reflux, 30 min

3: 95 percent / DCC / CH₂Cl₂ / 1.) 0-5 deg C, 60 min, 2.) room temperature, overnight

4: 86 percent / tetrahydrofuran / 1.) room temperature, overnight, 2.) reflux, 3 h

With sodium hydroxide; dicyclohexyl-carbodiimide; In tetrahydrofuran; dichloromethane;

DOI:10.1021/jm00128a026

upstream raw materials:

N-(tert-butyl)-3-fluorobenzamide

(3-methoxyphenyl)magnesium bromide

Downstream raw materials:

(2E,4E)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)-2,4-pentadienoic acid

(2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)-2,4-pentadienoic acid

(2E,4E)-5-(3-Fluoro-phenyl)-5-(3-methoxy-phenyl)-penta-2,4-dienoic acid 4-nitro-phenyl ester

(2E,4Z)-5-(3-Fluoro-phenyl)-5-(3-methoxy-phenyl)-penta-2,4-dienoic acid 4-nitro-phenyl ester

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