3-Iodo-4H-chromen-4-one

Base Information

• Chemical Name: 3-Iodo-4H-chromen-4-one
• CAS No.: 122775-34-2
• Molecular Formula: C9H5IO2
• Molecular Weight: 272.042
• Hs Code.: 2932999099
• European Community (EC) Number: 663-625-3
• DSSTox Substance ID: DTXSID30447787
• Nikkaji Number: J779.509B
• Wikidata: Q82266677
• Mol file: 122775-34-2.mol

Synonyms:3-Iodo-4H-chromen-4-one;122775-34-2;3-Iodochromone;3-iodochromen-4-one;3-IodochroMone, 97per cent;3-iodo-chromen-4-one;C9H5IO2;SCHEMBL2428944;DTXSID30447787;SZDBDDKQJHHRGH-UHFFFAOYSA-N;MFCD09475514;C91063;EN300-7461711;Z1269128046

Chemical Property of 3-Iodo-4H-chromen-4-one

Chemical Property:

• Melting Point: 95-97℃
• PSA: 30.21000
• LogP: 2.39760
• Sensitive.: Light Sensitive
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 271.93343
• Heavy Atom Count: 12
• Complexity: 235

Purity/Quality:

97% ^*data from raw suppliers

3-Iodo-4H-chromen-4-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=CO2)I
• Uses: 3-Iodochromone is used in the synthesis of 2-(N-azolyl)chromones, 3-azolylthiochromones.

Technology Process of 3-Iodo-4H-chromen-4-one

There total 1 articles about 3-Iodo-4H-chromen-4-one 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: 43.0%

1-(2-hydroxyphenyl)-3-dimethylaminoprop-2-enone (106129-86-6,1776-08-5) + 3-(2-phenylethynyl)-4H-chromen-4-one (771477-48-6) → 3-iodo-4-(4-oxo-4H-1-benzopyran-3-yl)-2-phenylfuro[3,2-c]-4H-1-benzopyran + 3-iodo-chromen-4-one (122775-34-2)

Guidance literature:

With iodine; In dichloromethane; at 20 ℃; for 24h;

DOI:10.1016/j.tetlet.2015.11.046

Reference yield: 99.0%

4-methoxyphenylboronic acid (5720-07-0) + 3-iodo-chromen-4-one (122775-34-2) → 3-(4-methoxyphenyl)-4H-chromen-4-one (1621-58-5)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; benzene; for 20h; Heating;

DOI:10.1021/jm060359j

Reference yield: 97.8%

3-iodo-chromen-4-one (122775-34-2) + phenylboronic acid (98-80-6) → isoflavone (574-12-9)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In ethanol; benzene; for 15h; Heating;

upstream raw materials:

1-(2-hydroxyphenyl)-3-dimethylaminoprop-2-enone

3-(2-phenylethynyl)-4H-chromen-4-one

Downstream raw materials:

3-(4-methylphenyl)-4H-chromen-4-one

3-(4-methoxyphenyl)-4H-chromen-4-one

3-(3,4-dimethoxyphenyl)-4H-chromen-4-one

isoflavone