3-Iodobenzophenone

Base Information

• Chemical Name: 3-Iodobenzophenone
• CAS No.: 25116-37-4
• Molecular Formula: C13H9IO
• Molecular Weight: 308.118
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID10423640
• Nikkaji Number: J541.096G
• Wikidata: Q82235887
• Mol file: 25116-37-4.mol

Synonyms:3-Iodobenzophenone;25116-37-4;(3-iodophenyl)-phenylmethanone;MFCD02260359;(3-IODOPHENYL)(PHENYL)METHANONE;SCHEMBL3839245;DTXSID10423640;JAFDVXCJWWEVND-UHFFFAOYSA-N;AKOS009339401;CS-0259987;EN300-7438936

Chemical Property of 3-Iodobenzophenone

Chemical Property:

• Vapor Pressure: 5.67E-06mmHg at 25°C
• Melting Point: 44 °C
• Boiling Point: 379.9oC at 760 mmHg
• Flash Point: 183.6oC
• PSA: 17.07000
• Density: 1.624g/cm3
• LogP: 3.52220
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 307.96981
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

95% ^*data from raw suppliers

3-Iodobenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)I

Technology Process of 3-Iodobenzophenone

There total 12 articles about 3-Iodobenzophenone 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: 88.0%

3-amino benzophenone (2835-78-1) → 3-iodobenzophenone (25116-37-4)

Guidance literature:

3-amino benzophenone; With nicotinic acid sulfate; sodium nitrite; In water; at 20 ℃; for 0.5h; Grinding;

With sodium iodide; In water; at 20 ℃;

DOI:10.1080/00304948.2011.582384

Reference yield: 80.0%

benzophenone (119-61-9) → 3-iodobenzophenone (25116-37-4)

Guidance literature:

With 1-benzyl-4-aza-1-azoniabicyclo[2.2.2]octane dichloroiodate; at 20 ℃; for 0.583333h;

DOI:10.1080/00304940209355787

Reference yield: 78.0%

C17H22INO5 + phenylmagnesium bromide (100-58-3) → 3-iodobenzophenone (25116-37-4)

Guidance literature:

In tetrahydrofuran; at -30 ℃; for 0.5h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/acs.joc.9b01699

upstream raw materials:

3-iodobenzoyl chloride

benzene

benzophenone

benzoyl chloride

Downstream raw materials:

3-iodo-benzoic acid-(3-iodo-benzhydrylidenehydrazide)

1,1-Diphenylmethanol

(3-iodophenyl)(phenyl)methanol

3-Iodo-α-ethyl-benzhydrol

Refernces

• 1、 Akhbar, Ahmed R.,Chudasama, Vijay,Fitzmaurice, Richard J.,Powell, Lyn,Caddick, Stephen. "Acyl hydrazides as acyl donors for the synthesis of diaryl and aryl alkyl ketones". supporting information. p. 743 - 746. Retrieved 2014/01/06.
• 2、 Allen, Anna E.,MacMillan, David W. C.. "Enantioselective α-arylation of aldehydes via the productive merger of iodonium salts and organocatalysis". supporting information; experimental part. p. 4260 - 4263. Retrieved 2011/06/21.