alpha-(Dimethylamino)-2-iodobenzeneacetonitrile

Base Information

• Chemical Name: alpha-(Dimethylamino)-2-iodobenzeneacetonitrile
• CAS No.: 299215-40-0
• Molecular Formula: C₁₀H₁₁IN₂
• Molecular Weight: 286.115
• DSSTox Substance ID: DTXSID201263887

Synonyms:DTXSID201263887;alpha-(Dimethylamino)-2-iodobenzeneacetonitrile;299215-40-0

Chemical Property of alpha-(Dimethylamino)-2-iodobenzeneacetonitrile

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 285.99670
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)C(C#N)C1=CC=CC=C1I

Technology Process of alpha-(Dimethylamino)-2-iodobenzeneacetonitrile

There total 2 articles about alpha-(Dimethylamino)-2-iodobenzeneacetonitrile 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: 85.0%

2-iodobenzaldehyde (26260-02-6) + sodium cyanide (143-33-9,25596-52-5) + N,N-dimethylammonium chloride (506-59-2) → 2-(N,N-dimethylamino)-2-(2-iodophenyl)acetonitrile (299215-40-0)

Guidance literature:

In water; acetonitrile; at 20 ℃; for 48h;

DOI:10.1021/jo0002700

Reference yield:

2-iodobenzyl alcohol (5159-41-1) → 2-(N,N-dimethylamino)-2-(2-iodophenyl)acetonitrile (299215-40-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 91 percent / MnO₂ / CHCl₃ / 1 h / 20 °C

2: 85 percent / acetonitrile; H₂O / 48 h / 20 °C

With manganese(IV) oxide; In chloroform; water; acetonitrile; 1: Oxidation / 2: Addition;

DOI:10.1021/jo0002700

Reference yield: 83.0%

2-(chloromethyl)iodobenzene (59473-45-9) + 2-(N,N-dimethylamino)-2-(2-iodophenyl)acetonitrile (299215-40-0) → (E)-1,2-bis(2-iodophenyl)-N,N-dimethylethenylamine (299215-67-1)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at -19 - 20 ℃;

DOI:10.1021/jo0002700

upstream raw materials:

2-iodobenzaldehyde

sodium cyanide

N,N-dimethylammonium chloride

2-iodobenzyl alcohol

Downstream raw materials:

2-Iodo-N,N-dimethylbenzamide

(E)-1,2-bis(2-iodophenyl)-N,N-dimethylethenylamine

(E)-N,N-dimethyl-2-(4,5-dimethoxy-2-iodophenyl)-1-(2-iodophenyl)ethenylamine

4-(5-chloro-2-hydroxyphenyl)-5-(2-iodophenyl)-1-phenylpyrazole

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