2-Chloro-4'-fluorochalcone

Base Information

• Chemical Name: 2-Chloro-4'-fluorochalcone
• CAS No.: 28081-11-0
• Molecular Formula: C15H10 Cl F O
• Molecular Weight: 260.695
• Hs Code.: 2914700090
• European Community (EC) Number: 654-182-7
• NSC Number: 201848
• DSSTox Substance ID: DTXSID00419456
• Nikkaji Number: J1.746.158C
• Wikidata: Q76306095
• Mol file: 28081-11-0.mol

Synonyms:2-chloro-4'-fluorochalcone;28081-11-0;(E)-3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one;NSC201848;3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one;DTXSID00419456;MFCD00018312;AKOS001325039;NSC-201848;A819321;Z46048764;(E)-3-(2-chlorophenyl)-1-(4-fluorophenyl)-2-propen-1-one

Chemical Property of 2-Chloro-4'-fluorochalcone

Chemical Property:

• Melting Point: 86-90 °C
• Boiling Point: 389.6°Cat760mmHg
• Flash Point: 189.4°C
• PSA: 17.07000
• Density: 1.265g/cm³
• LogP: 4.37520
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 260.0404208
• Heavy Atom Count: 18
• Complexity: 308

Purity/Quality:

98%min ^*data from raw suppliers

2-Chloro-4''-fluorochalcone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-4'-fluorochalcone

There total 2 articles about 2-Chloro-4'-fluorochalcone 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: 89.7%

2-chloro-benzaldehyde (89-98-5) + 1-(4-fluorophenyl)ethanone (403-42-9) → 3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one (28081-11-0)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃; Cooling with ice;

DOI:10.1016/j.bioorg.2020.104527

Reference yield:

→ 3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one (28081-11-0)

Guidance literature:

p-Fluor-acetophenon, o-Chlor-benzaldehyd;

Reference yield: 92.0%

dipropyl malonate (1117-19-7) + 3-(2-chlorophenyl)-1-(4-fluorophenyl)prop-2-en-1-one (28081-11-0) → dipropyl 2-(1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-oxopropyl)malonate (1012919-06-0)

Guidance literature:

With (1R,2R)-1,2-diphenylethane-1,2-bis(2,5-dimethylphenyl)sulfonamide; strontium bis; In toluene; at 25 ℃; for 7h; optical yield given as %ee; enantioselective reaction;

DOI:10.1246/cl.2009.296

upstream raw materials:

2-chloro-benzaldehyde

1-(4-fluorophenyl)ethanone

Downstream raw materials:

3-(2-chlorophenyl)-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole

3-(2-chlorophenyl)-5-(4-fluorophenyl)-2-methyl-1H-pyrrole

dipropyl 2-(1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-oxopropyl)malonate

6-(2-chlorophenyl)-8-(4-fluorophenyl)-5-methylindolizine

Refernces

• 1、 C S, Ramaa,Kumar, Alan P.,Meyer-Almes, Franz-Josef,Safuan, Sabreena,Schweipert, Markus,Tilekar, Kalpana,Upadhyay, Neha. "Multi-target weapons: diaryl-pyrazoline thiazolidinediones simultaneously targeting VEGFR-2 and HDAC cancer hallmarks". . p. 1540 - 1554. Retrieved 2021/10/26.
• 2、 Chauhan, Nilesh B.,Patel, Navin B.,Patel, Vatsal M.,Mistry, Bhupendra M.. "Synthesis and biological evaluation of coumarin clubbed thiazines scaffolds as antimicrobial and antioxidant". . p. 2141 - 2149. Retrieved 2018/07/21.