4'-Iodoacetophenone

Base Information

• Chemical Name: 4'-Iodoacetophenone
• CAS No.: 13329-40-3
• Molecular Formula: C8H7IO
• Molecular Weight: 246.047
• Hs Code.: 29147090
• European Community (EC) Number: 236-372-8
• NSC Number: 97396
• UNII: 979JX4AA6Z
• DSSTox Substance ID: DTXSID70158047
• Nikkaji Number: J150.885G
• Wikidata: Q72483290
• Mol file: 13329-40-3.mol

Synonyms:4'-Iodoacetophenone;13329-40-3;1-(4-Iodophenyl)ethanone;4-Iodoacetophenone;1-(4-Iodophenyl)ethan-1-one;p-Iodoacetophenone;Ethanone, 1-(4-iodophenyl)-;C8H7IO;MFCD00045320;4/'-Iodoacetophenone;979JX4AA6Z;EINECS 236-372-8;NSC-97396;1-(4-iodo-phenyl)-ethanone;p-acetyliodobenzene;NSC97396;4-iodo acetophenone;4`-Iodoacetophenone;4'-iodo acetophenone;4-acetylphenyl iodide;4\'-Iodoacetophenone;4-iodophenyl methyl ketone;1-(4-iodophenyl)-ethanone;UNII-979JX4AA6Z;1-(4-Iodophenyl)ethanone #;Ethanone, 1-(4-iodophenyl-;SCHEMBL457196;1-(4-iodophenyl)-1-ethanone;4'-Iodoacetophenone, >=97%;DTXSID70158047;BCP22400;NSC 97396;STK071379;AKOS000120603;AC-3622;CS-W012703;PS-5958;RS-1025;SY011859;4 inverted exclamation mark -Iodoacetophenone;AM20020405;FT-0618775;I0305;EN300-17906;A19685;J-515569;W-108299;Z57073725;F2182-0145

Chemical Property of 4'-Iodoacetophenone

Chemical Property:

• Appearance/Colour: brown crystalline powder
• Vapor Pressure: 0.0039mmHg at 25°C
• Melting Point: 82-84 °C(lit.)
• Refractive Index: 1.603
• Boiling Point: 279.9 °C at 760 mmHg
• Flash Point: 123.1 °C
• PSA: 17.07000
• Density: 1.72 g/cm³
• LogP: 2.49380
• Storage Temp.: Store below +30°C.
• Sensitive.: Light Sensitive
• Water Solubility.: Easily soluble in water.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 245.95416
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

4''-Iodoacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C=C1)I
• Uses: Synthesis of quinoline-based potential anticancer agents. Substrate for palladium-catalyzed coupling reactions

Technology Process of 4'-Iodoacetophenone

There total 53 articles about 4'-Iodoacetophenone 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: 99.6%

1-(4-iodophenyl)ethanol (68120-56-9,104013-25-4,53207-29-7) → 4-Iodoacetophenone (13329-40-3)

Guidance literature:

With silica-supported Jones reagent; In dichloromethane; for 0.00269444h;

DOI:10.1016/j.tetlet.2006.05.157

Reference yield: 95.0%

1-(p-acetophenyl)-3,3-diethyl-1-triazene (86452-55-3) → 4-Iodoacetophenone (13329-40-3) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1)

Guidance literature:

With sulfonic acid resin (H⁺ form, Bio-Rad AG 50W-12); sodium iodide; In acetonitrile; at 75 ℃; for 0.133333h;

DOI:10.1021/jo00171a050

Reference yield: 95.0%

1-(3,4-Diiodocyclohexa-1,3-dienyl)ethanone (85972-28-7) → 4-Iodoacetophenone (13329-40-3)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene;

DOI:10.1016/S0040-4039(00)81433-1

upstream raw materials:

p-aminobenzophenone

iodobenzene

acetyl chloride

methyllithium

Downstream raw materials:

6-iodo-2-(4-iodo-phenyl)-quinoline-4-carboxylic acid

6-bromo-2-(4-iodo-phenyl)-quinoline-4-carboxylic acid

(E)-1-(4-iodophenyl)-3-(4-fluorophenyl)prop-2-en-1-one

(E)-1-(4-iodophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one

Refernces

• 1、 Liu, Zhijian,Larock, Richard C.. "Palladium-catalyzed, sequential, three-component cross-coupling of aryl halides, alkynes, and arynes". . p. 2535 - 2538. Retrieved 2007.
• 2、 Kolvari, Eskandar,Amoozadeh, Ali,Koukabi, Nadiya,Otokesh, Somayeh,Isari, Mohsen. "Aryl diazonium nanomagnetic sulfate and potassium iodide: An iodination process". . p. 3648 - 3651. Retrieved 2014.
• 3、 Niu, Liting,Zhang, Hao,Yang, Haijun,Fu, Hua. "Metal-free iodination of arylboronic acids and the synthesis of biaryl derivatives". . p. 995 - 1000. Retrieved 2014.
• 4、 García-Ramos, Marina,Cuetos, Aníbal,Kroutil, Wolfgang,Grogan, Gideon,Lavandera, Iván. "The Reactivity of α-Fluoroketones with PLP Dependent Enzymes: Transaminases as Hydrodefluorinases". . p. 3967 - 3972. Retrieved 2021/08/09.
• 5、 Li, Zhibin,Zhang, Yan,Li, Kuiliang,Zhou, Zhenghong,Zha, Zhenggen,Wang, Zhiyong. "Selective electrochemical oxidation of aromatic hydrocarbons and preparation of mono/multi-carbonyl compounds". . p. 2134 - 2141. Retrieved 2021/09/29.