2-Butanone, 1-iodo-4-phenyl-

Base Information

• Chemical Name: 2-Butanone, 1-iodo-4-phenyl-
• CAS No.: 352276-27-8
• Molecular Formula: C10H11IO
• Molecular Weight: 274.101
• DSSTox Substance ID: DTXSID20474805
• Nikkaji Number: J2.170.905K
• Wikidata: Q82304927
• Mol file: 352276-27-8.mol

Synonyms:2-Butanone, 1-iodo-4-phenyl-;352276-27-8;1-iodo-4-phenyl-2-butanone;SCHEMBL5381462;DTXSID20474805

Chemical Property of 2-Butanone, 1-iodo-4-phenyl-

Chemical Property:

• PSA: 17.07000
• LogP: 2.62330
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 273.98546
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC(=O)CI

Technology Process of 2-Butanone, 1-iodo-4-phenyl-

There total 8 articles about 2-Butanone, 1-iodo-4-phenyl- 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%

1-bromo-4-phenylbutan-2-one (31984-10-8) → 1-iodo-4-phenylbutan-2-one (352276-27-8)

Guidance literature:

With sodium iodide; In ethanol; dichloromethane; acetone;

Reference yield: 58.0%

2,6-dimethyl-1-((4-phenylbut-1-en-2-yl)oxy)pyridin-1-ium bis((trifluoromethyl)sulfonyl)amide → 1-iodo-4-phenylbutan-2-one (352276-27-8)

Guidance literature:

With bis(trifluoromethane)sulfonimide lithium; sodium iodide; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride; In acetonitrile; at 20 ℃; Schlenk technique; Inert atmosphere; Irradiation; Sealed tube;

DOI:10.1021/acs.orglett.0c02523

Reference yield: 55.0%

4-Phenyl-2-butanone (2550-26-7) → 1-iodo-4-phenylbutan-2-one (352276-27-8) + 3-iodo-4-phenylbutan-2-one

Guidance literature:

With ammonium iodide; Oxone; In methanol; at 20 ℃; for 24h;

DOI:10.1016/j.tetlet.2011.09.106

upstream raw materials:

1-chloro-4-phenylbutan-2-one

4-Phenyl-2-butanone

hydrocinnamic acid chloride

1-bromo-4-phenylbutan-2-one

Downstream raw materials:

1,5-diphenyl-1-penten-3-one

1-hydroxy-1,5-diphenyl-pentan-3-one

dimethyl(2-oxo-4-phenylbutyl)phosphonate

bimatoprost