4-Iodo-4'-methylbenzophenone

Base Information

• Chemical Name: 4-Iodo-4'-methylbenzophenone
• CAS No.: 951887-45-9
• Molecular Formula: C₁₄H₁₁IO
• Molecular Weight: 322.145
• DSSTox Substance ID: DTXSID601277620

Synonyms:4-IODO-4'-METHYLBENZOPHENONE;951887-45-9;(4-Iodophenyl)(p-tolyl)methanone;(4-iodophenyl)-(4-methylphenyl)methanone;MFCD07775725;SCHEMBL10075868;DTXSID601277620;BNB88745;AKOS009338169;(4-IODOPHENYL)(4-METHYLPHENYL)METHANONE

Chemical Property of 4-Iodo-4'-methylbenzophenone

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 321.98546
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

4-Iodo-4'-methylbenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)I

Technology Process of 4-Iodo-4'-methylbenzophenone

There total 5 articles about 4-Iodo-4'-methylbenzophenone 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: 92.0%

4-iodophenylboronic acid (5122-99-6) + 4-methyl-benzoyl chloride (874-60-2) → 4-iodo-4'-methylbenzophenone (951887-45-9)

Guidance literature:

With sodium hydroxide; In toluene; at 100 ℃; for 2h; Schlenk technique;

DOI:10.1016/j.tetlet.2017.06.048

Reference yield: 69.0%

C15H13I → 4-iodo-4'-methylbenzophenone (951887-45-9)

Guidance literature:

With tetrahydrofuran; oxygen; In water; at 20 ℃; for 18h; Irradiation; Green chemistry;

DOI:10.1039/d1gc01364e

Reference yield: 68.0%

S-2-(1-(methoxyimino)ethyl)phenyl 4-methylbenzothioate + (C4H9)3SnC6H4-p-I (17151-50-7) → 4-iodo-4'-methylbenzophenone (951887-45-9)

Guidance literature:

With Cu(I) 3-methylsalicylate; In N,N-dimethyl-formamide; for 1h; Microwave irradiation; Heating; Inert atmosphere; Sealed tube;

DOI:10.1021/ja200792m

upstream raw materials:

toluene

4-iodobenzoic acid chloride

4-iodobenzoic acid

(C₄H₉)3SnC₆H₄-p-I

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