4-Fluorochalcone

Base Information

• Chemical Name: 4-Fluorochalcone
• CAS No.: 1608-51-1
• Molecular Formula: C15H11FO
• Molecular Weight: 226.25
• Hs Code.: 2914700090
• European Community (EC) Number: 672-676-0
• NSC Number: 88515
• DSSTox Substance ID: DTXSID901030857
• Nikkaji Number: J402.925I,J947.028J
• Metabolomics Workbench ID: 155887
• ChEMBL ID: CHEMBL2234233
• Mol file: 1608-51-1.mol

Synonyms:4-Fluorochalcone;1608-51-1;2-Propen-1-one, 3-(4-fluorophenyl)-1-phenyl-;(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one;(2E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one;CCRIS 2224;22966-07-0;NSC 88515;(E)-3-(4-fluorophenyl)-1-phenyl-2-propen-1-one;(E)-3-(4-fluorophenyl)-1-phenyl-prop-2-en-1-one;2-(4-Fluorobenzal)acetophenone;2-Propen-1-one, 3-(4-fluorophenyl)-1-phenyl-, (2E)-;MFCD00443467;3-(4-fluorophenyl)-1-phenyl-2-propen-1-one;4-fluoro-chalcone;NSC88515;Chalcone, 4-fluoro-;4-Fluoro-trans-chalcone;4-FLUORO CHALCONE;2-Propen-1-one, 3-(4-fluorophenyl)-1-phenyl- (9CI);p-Fluorostyryl phenyl ketone;SCHEMBL657887;CHEMBL2234233;DTXSID901030857;NSC-88515;STL281772;1-(4-fluorophenyl)-3-phenylpropenone;AKOS001334724;3-(4-Fluoro-phenyl)-1-phenyl-propanone;LS-188244;CS-0063143;F19822;2-Propen-1-one,3-(4-fluorophenyl)-1-phenyl-;A810197;SR-01000078645;SR-01000078645-1;(E)-3-(4'-Fluorophenyl)-1-phenylprop-2-en-1-one;Z46028365;(2E)-3-(4-Fluorophenyl)-1-phenyl-2-propen-1-one #;3-(4-Fluorophenyl)-1-phenyl-2-propen-1-one, AldrichCPR

Chemical Property of 4-Fluorochalcone

Chemical Property:

• Appearance/Colour: Yellow crystalline powder
• Vapor Pressure: 5.97E-05mmHg at 25°C
• Melting Point: 84-88 °C
• Refractive Index: 1.608
• Boiling Point: 345.9 °C at 760 mmHg
• Flash Point: 157.3 °C
• PSA: 17.07000
• Density: 1.166 g/cm³
• LogP: 3.72180
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.079393132
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Fluorochalcone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)F
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)F

Technology Process of 4-Fluorochalcone

There total 52 articles about 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: 98.0%

4-fluorobenzaldehyde (459-57-4) + acetophenone (98-86-2) → 4-fluorochalcone (1608-51-1)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 1h;

DOI:10.1016/j.ejmech.2009.12.068

Reference yield: 96.7%

4-fluorobenzaldehyde (459-57-4) + acetophenone (98-86-2) → 4-fluorochalcone (1608-51-1,22966-07-0,102692-46-6)

Guidance literature:

With 1-butyl-3-methylimidazolium hydroxide; at 30 ℃; for 4h;

Reference yield: 95.0%

C15H11FO2 → 4-fluorochalcone (1608-51-1)

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:

4-fluorobenzaldehyde

acetophenone

para-fluorostyrene

carbon monoxide

Downstream raw materials:

4-(4-Fluoro-phenyl)-6-hydroxy-6-phenyl-2-thioxo-piperidine-3-carbonitrile; compound with piperidine

C₂₁H₁₄FN₄O^(1-)*C₅H₁₁N*H⁽¹⁺⁾

4-(4-Fluoro-phenyl)-6-phenyl-2-selanyl-1,4-dihydro-pyridine-3-carbonitrile; compound with 4-methyl-morpholine

(Z)-4-fluorochalcone

Refernces

• 1、 Verma, Anil K.,Koul, Summon,Razdan, Tej K.,Kapoor, Kamal K.. "A new and efficient one-pot solid-supported synthesis of 1,2,4,6-tetraaryl-1,4-dihydropyridines". . p. 1064 - 1073. Retrieved 2006.
• 2、 Prabu,Nagalakshmi,Balaji,Srinivasan. "Investigations on the vibrational modes and non-linear optical properties of 4-Fluoro Chalcone crystal". . p. 114 - 120. Retrieved 2014.
• 3、 Upadhyay, Neha,Tilekar, Kalpana,Loiodice, Fulvio,Anisimova, Natalia Yu.,Spirina, Tatiana S.,Sokolova, Darina V.,Smirnova, Galina B.,Choe, Jun-yong,Meyer-Almes, Franz-Josef,Pokrovsky, Vadim S.,Lavecchia, Antonio,Ramaa. "Pharmacophore hybridization approach to discover novel pyrazoline-based hydantoin analogs with anti-tumor efficacy". . . Retrieved 2020/12/21.
• 4、 Chithiraikumar, Chinnadurai,Ponmuthu, Kottala Vijaya,Harikrishnan, Muniyasamy,Malini, Nelson,Sepperumal, Murugesan,Siva, Ayyanar. "Efficient base-free asymmetric one-pot synthesis of spiro[indoline-3,3′-pyrrolizin]-2-one derivatives catalyzed by chiral organocatalyst". . p. 895 - 909. Retrieved 2020/10/29.