(2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone

Base Information

• Chemical Name: (2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone
• CAS No.: 915095-86-2
• Molecular Formula: C13H7ClFIO
• Molecular Weight: 360.554
• Hs Code.: 29142990
• European Community (EC) Number: 619-596-4
• UNII: DJ5QSH47AL
• DSSTox Substance ID: DTXSID301045098
• Mol file: 915095-86-2.mol

Synonyms:(2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone;915095-86-2;(2-chloro-5-iodophenyl)-(4-fluorophenyl)methanone;(2-Chloro-5-iodo-phenyl)-(4-fluoro-phenyl)-methanone;MFCD22665920;Methanone, (2-chloro-5-iodophenyl)(4-fluorophenyl)-;C13H7ClFIO;DJ5QSH47AL;EC 619-596-4;(2-Chlor-5-iod-phenyl)-(4-fluoro-phenyl)-methanone;SCHEMBL2638961;KNYGUQLVFSPVRI-UHFFFAOYSA-N;DTXSID301045098;BCP12333;AKOS024464565;DS-7777;2-Chloro-4'-Fluoro-5-Iodobenzophenone;SY078307;CS-0006692;NS00005615;A860348

Chemical Property of (2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone

Chemical Property:

• Boiling Point: 415℃
• Flash Point: 205℃
• PSA: 17.07000
• Density: 1.752
• LogP: 4.31470
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Solubility.: Chloroform (Slightly), Ethyl Acetate
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 359.92142
• Heavy Atom Count: 17
• Complexity: 279

Purity/Quality:

98% ^*data from raw suppliers

(2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C2=C(C=CC(=C2)I)Cl)F
• Uses: (2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone is a reagent in the synthesis of Empagliflozin (E521510); an inhibitor of SGLT-2.

Technology Process of (2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone

There total 7 articles about (2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone 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: 94.0%

fluorobenzene (462-06-6) + 2-chloro-5-iodobenzoic acid (19094-56-5) → (2-chloro-5-iodophenyl)(4-fluorophenyl)methanone (915095-86-2)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; at 25 - 30 ℃; for 5h;

Reference yield: 93.4%

2-chloro-5-iodobenzoylchloride (281652-58-2) + fluorobenzene (462-06-6) → (2-chloro-5-iodophenyl)(4-fluorophenyl)methanone (915095-86-2)

Guidance literature:

With aluminum (III) chloride; In dichloromethane; at -5 ℃; for 6h;

Reference yield: 91.6%

(2-chloro-5-aminophenyl)(4-fluorophenyl)methanone → (2-chloro-5-iodophenyl)(4-fluorophenyl)methanone (915095-86-2)

Guidance literature:

(2-chloro-5-aminophenyl)(4-fluorophenyl)methanone; With sulfuric acid; sodium nitrite; In water; at 0 - 10 ℃; Large scale;

With urea; potassium iodide; In water; at 0 - 20 ℃; for 0.5h; Large scale;

upstream raw materials:

2-chloro-5-iodobenzoylchloride

fluorobenzene

2-chloro-5-iodobenzoic acid

ortho-chlorobenzoic acid

Downstream raw materials:

(3S)-3-[4-[(2-chloro-5-iodophenyl)methyl]phenoxy]tetrahydrofuran

(2S,3R,4S,5S,6R)-2-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-6-(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol

(2S,3R,4S,5R,6R)-6-(acetoxymethyl)-2-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triyl triacetate

(2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-trityl triacetate

Refernces

• 1、 -. "Dicyclic derivative of glucoside as well as preparation method and application of dicyclic derivative". Paragraph 0196; 0197; 0198. . Retrieved 2018/07/30.
• 2、 -. "Preparation method of SGLT2 inhibitor intermediate". Paragraph 0038-0039. . Retrieved 2017/08/30.