4-Iodobenzoylacetonitrile

Base Information

• Chemical Name: 4-Iodobenzoylacetonitrile
• CAS No.: 206346-33-0
• Molecular Formula: C9H6INO
• Molecular Weight: 271.057
• Hs Code.: 2926907090
• Mol file: 206346-33-0.mol

Synonyms:3-(4-iodophenyl)-3-oxopropanenitrile;4-Iodobenzoylacetonitrile;

Chemical Property of 4-Iodobenzoylacetonitrile

Chemical Property:

• Vapor Pressure: 3.54E-06mmHg at 25°C
• Melting Point: 187.4-188.4 °C
• Refractive Index: 1.62
• Boiling Point: 386.4 °C at 760 mmHg
• PKA: 7.46±0.10(Predicted)
• Flash Point: 187.5 °C
• PSA: 40.86000
• Density: 1.772 g/cm³
• LogP: 2.38758
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

4-Iodobenzoylacetonitrile 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-Iodobenzoylacetonitrile

There total 10 articles about 4-Iodobenzoylacetonitrile 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: 71.0%

4-iodophenylboronic acid (5122-99-6) + malononitrile (109-77-3) → 3-(4-iodophenyl)-3-oxopropanenitrile (206346-33-0)

Guidance literature:

With 4,4'-dimethyl-2,2'-bipyridines; palladium(II) acetylacetonate; toluene-4-sulfonic acid; In water; toluene; at 80 ℃; for 24h; Schlenk technique;

DOI:10.1021/acs.joc.0c02388

Reference yield: 70.0%

methyl 4-iodobenzoate (619-44-3) + acetonitrile (75-05-8,26809-02-9) → 3-(4-iodophenyl)-3-oxopropanenitrile (206346-33-0)

Guidance literature:

acetonitrile; With n-butyllithium; In tetrahydrofuran; at -65 ℃; for 0.5h;

methyl 4-iodobenzoate; at -65 - -45 ℃; for 2h;

DOI:10.1016/j.bmcl.2014.01.080

Reference yield: 36.0%

4-iodobenzoic acid ethyl ester (51934-41-9) + acetonitrile (75-05-8,26809-02-9) → 3-(4-iodophenyl)-3-oxopropanenitrile (206346-33-0)

Guidance literature:

With sodium ethanolate; In toluene; at 110 ℃; for 20h;

DOI:10.1016/j.ejmech.2008.03.040

upstream raw materials:

4-iodobenzoic acid

cyanoacetic acid

potassium cyanide

4-iodobenzoic acid chloride

Downstream raw materials:

ethyl 1-(2,4-dichlorophenyl)-4-cyano-5-(4-iodophenyl)-1H-pyrazole-3-carboxylate

3-cyano-N,N-diethyl-4-(4-iodophenyl)-4-oxobutanamide

4-iodobenzoylformic acid ethyl ester