8-Iodonaphthalene-1-carbonitrile

Base Information

• Chemical Name: 8-Iodonaphthalene-1-carbonitrile
• CAS No.: 157735-41-6
• Molecular Formula: C11H6IN
• Molecular Weight: 279.07651
• DSSTox Substance ID: DTXSID00704778
• Nikkaji Number: J3.163.277C
• Wikidata: Q82637322
• Mol file: 157735-41-6.mol

Synonyms:8-Iodonaphthalene-1-carbonitrile;157735-41-6;1-Cyano-8-iodonaphthalene;8-iodo-1-naphthonitrile;SCHEMBL17950524;DTXSID00704778;AT25679;FT-0728871

Chemical Property of 8-Iodonaphthalene-1-carbonitrile

Chemical Property:

• Boiling Point: 386.8±15.0 °C(Predicted)
• PSA: 23.79000
• Density: 1.81±0.1 g/cm3(Predicted)
• LogP: 3.31608
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 278.95450
• Heavy Atom Count: 13
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

1-Cyano-8-iodonaphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)C#N)C(=CC=C2)I

Technology Process of 8-Iodonaphthalene-1-carbonitrile

There total 8 articles about 8-Iodonaphthalene-1-carbonitrile 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%

1,8-diiodonaphthalene (1730-04-7) + copper(l) cyanide → 8-iodonaphthalene-1-carbonitrile (157735-41-6)

Guidance literature:

In N,N-dimethyl-formamide; at 80 - 100 ℃; Inert atmosphere;

DOI:10.1021/jo100053j

Reference yield: 61.0%

1-Cyanonaphthalene (86-53-3) → 8-iodonaphthalene-1-carbonitrile (157735-41-6)

Guidance literature:

With N-iodo-succinimide; palladium diacetate; toluene-4-sulfonic acid; In 1,2-dichloro-ethane; at 70 ℃; for 12h; Sealed tube;

DOI:10.1021/jo302765g

Reference yield: 49.0%

1-amino-8-iodonaphthalene (52753-62-5) + copper(l) cyanide → 8-iodonaphthalene-1-carbonitrile (157735-41-6)

Guidance literature:

1-amino-8-iodonaphthalene; With sulfuric acid; In water; at 0 ℃; for 0.333333h;

copper(l) cyanide; With sodium nitrite; In water; at 20 - 50 ℃; for 4h;

DOI:10.3184/174751911X13222107572093

upstream raw materials:

1,8-naphtholactam

8-Iodnaphthalin-1-carboxamid

8-iodo-1-naphthoic acid

1,8-diiodonaphthalene

Downstream raw materials:

8-<4-(Methoxycarbonyl)phenyl>naphthalin-1-carbonitril

8-<4-(Hydroxymethyl)phenyl>naphthalin-1-carbonitril

8-<4-(2-Hydroxyethyl)phenyl>naphthalin-1-carbonitril

8-<4-(Hydroxymethyl)phenyl>naphthalin-1-carboxamid