4-IODOPHENYLACETONITRILE

Base Information

• Chemical Name: 4-IODOPHENYLACETONITRILE
• CAS No.: 51628-12-7
• Molecular Formula: C8H6 I N
• Molecular Weight: 243.047
• Hs Code.: 2926909090
• Mol file: 51628-12-7.mol

Synonyms:Acetonitrile,(p-iodophenyl)- (6CI,7CI); 4-Cyanomethylphenyl iodide;4-Iodophenylacetonitrile; p-Iodophenylacetonitrile

Chemical Property of 4-IODOPHENYLACETONITRILE

Chemical Property:

• Vapor Pressure: 0.00275mmHg at 25°C
• Melting Point: 53-57 °C(lit.)
• Boiling Point: 285.8 °C at 760 mmHg
• Flash Point: 126.6 °C
• PSA: 23.79000
• Density: 1.764 g/cm³
• LogP: 2.35728
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Light Sensitive
• Water Solubility.: Insoluble in water

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-(4-Iodophenyl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 22-43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 4-Iodophenylacetonitrile is used as an intermediate in organic syntheses and in pharmaceuticals.

Technology Process of 4-IODOPHENYLACETONITRILE

There total 10 articles about 4-IODOPHENYLACETONITRILE 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: 97.0%

4-Bromophenylacetonitrile (16532-79-9) → 4-iodophenylacetonitrile (51628-12-7)

Guidance literature:

With trans-N,N'-dimethyl-1,2-cyclohexyldiamine; copper(l) iodide; sodium iodide; In 1,4-dioxane; at 110 ℃;

DOI:10.1021/ja028865v

Reference yield: 97.0%

→ 4-iodophenylacetonitrile (51628-12-7)

Guidance literature:

Reference yield: 68.9%

4-tolyl iodide (624-31-7) → 4-iodophenylacetonitrile (51628-12-7)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; water; dimethyl sulfoxide;

upstream raw materials:

1-bromomethyl-4-iodobenzene

potassium cyanide

4-iodobenzyl chloride

2-hydroxy-2-methylpropanenitrile

Downstream raw materials:

1,1,1-trichloro-2,2-bis-[2-(4-iodo-phenyl)-acetylamino]-ethane

<4-(diphenylphosphino)phenyl>acetonitrile

2-(4-iodophenyl)-2-(2,2-dimethoxyethyl)-4,4-dimethoxybutyronitrile

N-Hydroxy-2-(4-iodo-phenyl)-acetamidine

Refernces

• 1、 Das, Riki,Kapur, Manmohan. "Palladium-Catalyzed, ortho-Selective C-H Halogenation of Benzyl Nitriles, Aryl Weinreb Amides, and Anilides". . p. 1114 - 1126. Retrieved 2018/06/18.
• 2、 Orwat, Michael J.,Qiao, Jennifer X.,He, Kan,Rendina, Alan R.,Luettgen, Joseph M.,Rossi, Karen A.,Xin, Baomin,Knabb, Robert M.,Wexler, Ruth R.,Lam, Patrick Y.S.,Pinto, Donald J.P.. "Orally bioavailable factor Xa inhibitors containing alpha-substituted gem-dimethyl P4 moieties". . p. 3341 - 3345. Retrieved 2014/07/22.