N-(4-iodophenyl)-3-oxobutanamide

Base Information

• Chemical Name: N-(4-iodophenyl)-3-oxobutanamide
• CAS No.: 38418-25-6
• Molecular Formula: C10H10INO2
• Molecular Weight: 303.09600
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID201302170
• Mol file: 38418-25-6.mol

Synonyms:N-(4-iodophenyl)-3-oxobutanamide;38418-25-6;SCHEMBL7094502;DTXSID201302170;AKOS000166169;EN300-77536;Z57515051

Chemical Property of N-(4-iodophenyl)-3-oxobutanamide

Chemical Property:

• PSA: 46.17000
• LogP: 2.28180
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 302.97563
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

N-(4-IODOPHENYL)-3-OXOBUTANAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC(=O)NC1=CC=C(C=C1)I

Technology Process of N-(4-iodophenyl)-3-oxobutanamide

There total 2 articles about N-(4-iodophenyl)-3-oxobutanamide 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: 66.0%

tert-butyl acetoacetate (1694-31-1) + p-aminoiodobenzene (540-37-4) → N-(4-iodophenyl)-3-oxobutanamide (38418-25-6)

Guidance literature:

In acetonitrile; at 160 ℃; for 0.5h; under 7500.75 Torr; Microwave irradiation;

DOI:10.1055/s-0030-1258440

Reference yield:

→ N-(4-iodophenyl)-3-oxobutanamide (38418-25-6)

Guidance literature:

p-Iodanilin, Diketen;

DOI:10.1016/0022-1902(72)80282-3

Reference yield: 40.0%

carbon disulfide (75-15-0,12122-00-8) + N-(4-iodophenyl)-3-oxobutanamide (38418-25-6) → 5-acetyl-N,1-bis(4-iodophenyl)-2-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; 1,4-di(diphenylphosphino)-butane; copper(ll) bromide; In water; acetonitrile; at 25 ℃; for 7.5h; Inert atmosphere; Electrolysis;

DOI:10.1039/d1ob02379a

upstream raw materials:

tert-butyl acetoacetate

p-aminoiodobenzene

Downstream raw materials:

C₁₇H₁₇IN₂O

C₂₇H₂₃I₂N₃O₃

Refernces