(5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone

Base Information

• Chemical Name: (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone
• CAS No.: 461432-22-4
• Molecular Formula: C15H12BrClO2
• Molecular Weight: 339.616
• European Community (EC) Number: 630-623-9
• DSSTox Substance ID: DTXSID30434334
• Wikidata: Q72453271
• Mol file: 461432-22-4.mol

Synonyms:(5-BROMO-2-CHLOROPHENYL)(4-ETHOXYPHENYL)METHANONE;461432-22-4;Methanone, (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)-;(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone;MFCD11044417;C15H12BrClO2;5-bromo-2-chloro-4'-ethoxybenzophenone;SCHEMBL17019;DTXSID30434334;OEURLNJEQCLGPS-UHFFFAOYSA-N;BCP09251;CS-B0022;AKOS009476100;AC-27004;DS-13458;SY025643;A7212;AM20090706;FT-0654424;(5-bromo-2-chloro phenyl)(4-ethoxyphenyl)methanone;(5-BroMo-2-chlorophenyl)(4-ethoxyphenyl) Methanone;5-Bromo-2-chloro-4 inverted exclamation mark -ethoxybenzophenone

Chemical Property of (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.592
• Boiling Point: 439.162 °C at 760 mmHg
• Flash Point: 219.397 °C
• PSA: 26.30000
• Density: 1.438 g/cm³
• LogP: 4.73220
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 337.97092
• Heavy Atom Count: 19
• Complexity: 303

Purity/Quality:

≥98.0% ^*data from raw suppliers

(5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)Cl
• Uses: (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone is an intermediate used in the improved synthesis of Dapagliflozin, a novel selective sodium-glucose co-transporter type II (SGLT2) inhibitor.

Technology Process of (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone

There total 23 articles about (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)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: 95.3%

5-bromo-2-chlorobenzoic acid (21739-92-4) + Phenetole (103-73-1) → (5-bromo-2-chlorophenyl)(4-ethyloxyphenyl)methanone (461432-22-4)

Guidance literature:

5-bromo-2-chlorobenzoic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In chloroform; at 10 - 25 ℃; for 20.1667h;

With titanium tetrachloride; In dichloromethane; at 8 - 10 ℃; for 0.3h;

Phenetole; In dichloromethane; at 8 - 10 ℃; for 3.25h;

Reference yield: 92.0%

5-bromo-2-amino-4'-ethoxybenzophenone → (5-bromo-2-chlorophenyl)(4-ethyloxyphenyl)methanone (461432-22-4)

Guidance literature:

5-bromo-2-amino-4'-ethoxybenzophenone; With hydrogenchloride; sodium nitrite; In water; at -5 - 0 ℃; for 3h; Large scale;

With hydrogenchloride; copper(l) chloride; In water; at 20 - 80 ℃; for 3h; Large scale;

Reference yield: 92.0%

5-bromo-2-chlorobenzoic acid (21739-92-4) + C8H12O → (5-bromo-2-chlorophenyl)(4-ethyloxyphenyl)methanone (461432-22-4)

Guidance literature:

5-bromo-2-chlorobenzoic acid; C₈H₁₂O; With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 10 - 30 ℃;

With aluminum (III) chloride; In dichloromethane; for 1h; Cooling with ice;

upstream raw materials:

oxalyl dichloride

5-bromo-2-chloro-benzoyl chloride

5-bromo-2-chlorobenzoic acid

Phenetole

Downstream raw materials:

4-bromo-1-chloro-2-((4-ethoxyphenyl)methyl-d2)benzene

4-(5-bromo-2-chlorobenzyl)phenol

(2R,3R,4R,5S,6S)-2-(acetoxymethyl)-6-(4-chloro-3-(4-((1-( trifluoromethyl)cyclobutyl)methoxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

(2S,3R,4R,5S,6R)-2-(4-chloro-3-(4-((1-(trifluoromethyl)cyclobutyl)methoxy)benzyl)phenyl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Refernces

• 1、 -. "METHOD FOR MANUFACTURING DIARYLMETHANE COMPOUND". Paragraph 0233-0234. . Retrieved 2021/07/02.
• 2、 -. "Preparation method of polysubstituted diphenyl ketone". Paragraph 0054; 0071-0077. . Retrieved 2021/09/21.