4,4'-Dichlorochalcone

Base Information

• Chemical Name: 4,4'-Dichlorochalcone
• CAS No.: 19672-59-4
• Molecular Formula: C₁₅H₁₀Cl₂O
• Molecular Weight: 277.15
• Hs Code.: 2914700090
• European Community (EC) Number: 633-730-9
• NSC Number: 122588
• Nikkaji Number: J151.177G,J314.523I
• Wikidata: Q76305789
• ChEMBL ID: CHEMBL226715
• Mol file: 19672-59-4.mol

Synonyms:4,4'-dichlorochalcone;p,p'-dichlorochalcone

Chemical Property of 4,4'-Dichlorochalcone

Chemical Property:

• Melting Point: 157-159°C
• Boiling Point: 420.1 °C at 760 mmHg
• Flash Point: 177.4 °C
• PSA: 17.07000
• Density: 1.296 g/cm³
• LogP: 4.88950
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 276.0108703
• Heavy Atom Count: 18
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

4,4'-Dichlorochalcone >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Cl)Cl
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)C2=CC=C(C=C2)Cl)Cl

Technology Process of 4,4'-Dichlorochalcone

There total 37 articles about 4,4'-Dichlorochalcone 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: 96.0%

4-chlorobenzaldehyde (104-88-1) + para-chloroacetophenone (99-91-2) → (E)-1,3-di(4-chlorophenyl)-2-propen-1-one (19672-59-4,20725-25-1,22966-30-9)

Guidance literature:

With potassium phosphate; In ethanol; at 20 ℃; for 0.5h;

DOI:10.1134/S107042800707024X

Reference yield: 96.0%

4-chlorobenzaldehyde (104-88-1) + para-chloroacetophenone (99-91-2) → 1,3-bis(4-chlorophenyl)prop-2-en-1-one (20725-25-1,22966-30-9,19672-59-4)

Guidance literature:

With cesium-grafted zagrousian natural asphalt sulfonate; In ethanol; at 20 ℃; for 0.5h; Reagent/catalyst;

DOI:10.1007/s13738-021-02270-4

Reference yield: 92.0%

(4-chloro-phenyl)-[3-(4-chloro-phenyl)-oxiranyl]-methanone → (E)-1,3-di(4-chlorophenyl)-2-propen-1-one (19672-59-4,20725-25-1,22966-30-9)

Guidance literature:

With sodium iodide; tin(ll) chloride; In ethanol; for 0.0833333h; Reflux; Green chemistry;

DOI:10.1055/s-0034-1378821

upstream raw materials:

ethanol

4-chlorobenzaldehyde

para-chloroacetophenone

acetic acid

Downstream raw materials:

(E)-1,3-Bis-(4-chloro-phenyl)-2-nitro-propenone

3-(4-chlorobenzoyl)-4-(4-chlorophenyl)-4,5-dihydropyrazole

5,7-Bis-(4-chloro-phenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-Bis-(4-chloro-phenyl)-3-methyl-1-phenyl-1,6,7,8-tetrahydro-pyrazolo[3,4-b][1,4]diazepine

Refernces

• 1、 Samimi, Heshmat A.,Yamin, Bohari M.,Saberi, Fatemeh. "Synthesis of tert -Butyl 1,3-Diaryl-3-oxopropylcarbamates by a regiocontrolled reduction of ketoaziridines". . p. 129 - 133. Retrieved 2015.
• 2、 Soleiman-Beigi, Mohammad,Ghalavand, Saba,Venovel, Hadis Gholami,Kohzadi, Homa. "Synthesis of lithium/cesium-Zagronas from zagrosian natural asphalt and study of their activity as novel, green, heterogeneous and homogeneous nanocatalysts in the Claisen–Schmidt and Knoevenagel condensations". . p. 3267 - 3279. Retrieved 2021/06/17.
• 3、 Tanemura, Kiyoshi,Rohand, Taoufik. "Activated charcoal-mediated synthesis of chalcones catalyzed by NaOH in water". supporting information. . Retrieved 2021/02/27.