2'-Iodo-2-phenylacetophenone

Base Information

• Chemical Name: 2'-Iodo-2-phenylacetophenone
• CAS No.: 430429-42-8
• Molecular Formula: C14H11IO
• Molecular Weight: 322.145
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID60452788
• Nikkaji Number: J2.335.143I
• Wikidata: Q82273615
• Mol file: 430429-42-8.mol

Synonyms:2'-IODO-2-PHENYLACETOPHENONE;430429-42-8;1-(2-iodophenyl)-2-phenylethanone;MFCD02260667;BTPSGRKMOFIPPW-UHFFFAOYSA-;DTXSID60452788;AKOS010310805;1-(2-Iodophenyl)-2-phenylethan-1-one;CS-0357669;InChI=1/C14H11IO/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-9H,10H2

Chemical Property of 2'-Iodo-2-phenylacetophenone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 389.658°C at 760 mmHg
• Flash Point: 189.458°C
• PSA: 17.07000
• Density: 1.581g/cm³
• LogP: 3.71660
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 321.98546
• Heavy Atom Count: 16
• Complexity: 233

Purity/Quality:

97% ^*data from raw suppliers

2'-iodo-2-phenylacetophenone 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)CC(=O)C2=CC=CC=C2I

Technology Process of 2'-Iodo-2-phenylacetophenone

There total 5 articles about 2'-Iodo-2-phenylacetophenone 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: 81.0%

2-Iodobenzoyl chloride (609-67-6) + benzylic zinc mesylate → 1-(2-iodophenyl)-2-phenyl-1-ethanone (430429-42-8)

Guidance literature:

With copper(l) cyanide; lithium chloride; In tetrahydrofuran; at 0 ℃; for 2h; Inert atmosphere;

DOI:10.1055/s-0034-1379880

Reference yield: 79.0%

1-(2-iodophenyl)-2-phenyl-1-ethanol (430429-41-7) → 1-(2-iodophenyl)-2-phenyl-1-ethanone (430429-42-8)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; for 3h;

DOI:10.1021/jo0255431

Reference yield:

2-iodobenzaldehyde (26260-02-6) → 1-(2-iodophenyl)-2-phenyl-1-ethanone (430429-42-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: magnesium / diethyl ether / 20 °C

1.2: 60 percent / diethyl ether / 3 h / Heating

2.1: 79 percent / pyridinium chlorochromate / CH₂Cl₂ / 3 h

With magnesium; pyridinium chlorochromate; In diethyl ether; dichloromethane;

DOI:10.1021/jo0255431

upstream raw materials:

1-(2-iodophenyl)-2-phenyl-1-ethanol

2-iodobenzaldehyde

benzyl chloride

2-Iodobenzoyl chloride

Downstream raw materials:

1-benzyl-3,4-diphenylisoquinoline

C₁₄H₁₂INO

2-iodophenyl benzyl ketone oxime

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