Naphthalene-2,7-dicarbonitrile

Base Information

• Chemical Name: Naphthalene-2,7-dicarbonitrile
• CAS No.: 39718-11-1
• Molecular Formula: C₁₂H₆N₂
• Molecular Weight: 178.193
• European Community (EC) Number: 679-775-8
• DSSTox Substance ID: DTXSID50535716
• Nikkaji Number: J2.705.678D
• Wikidata: Q82410120
• Mol file: 39718-11-1.mol

Synonyms:naphthalene-2,7-dicarbonitrile;39718-11-1;2,7-Dicyanonaphthalene;2,7-Naphthalenedicarbonitrile;MFCD00159054;SCHEMBL1341822;DTXSID50535716;NNHXOKPHDUDDAK-UHFFFAOYSA-N;AKOS022639911;SY053691;CS-0452111;D3705;T70877

Chemical Property of Naphthalene-2,7-dicarbonitrile

Chemical Property:

• Vapor Pressure: 2.43E-06mmHg at 25°C
• Melting Point: 267 °C
• Refractive Index: 1.663
• Boiling Point: 391.6°C at 760 mmHg
• Flash Point: 198.8°C
• PSA: 47.58000
• Density: 1.23g/cm³
• LogP: 2.58316
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 178.053098200
• Heavy Atom Count: 14
• Complexity: 273

Purity/Quality:

97% ^*data from raw suppliers

2,7-Dicyanonaphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CC(=C2)C#N)C#N

Technology Process of Naphthalene-2,7-dicarbonitrile

There total 2 articles about Naphthalene-2,7-dicarbonitrile 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:

hydrogen cyanide (74-90-8) → 1,7-Dicyan-naphthalin (95596-45-5) + 2,7-naphthalenedicarbonitrile (39718-11-1)

Guidance literature:

Reaktion von KCN;

DOI:10.1039/jr9390000253

Reference yield:

hydrogen cyanide (74-90-8) → 1,7-Dicyan-naphthalin (95596-45-5) + 2,7-naphthalenedicarbonitrile (39718-11-1)

Guidance literature:

Reaktion von KCN;

DOI:10.1039/jr9390000253

Reference yield:

2,7-naphthalenedicarbonitrile (39718-11-1) → 2-(benzyloxycarbonyl)aminomethyl-7-(t-butoxycarbonylaminomethyl)naphthalene (473220-09-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: diisobutylaluminum hydride / CH₂Cl₂; hexane / 0.5 h / -78 °C

1.2: 23 percent / sodium borohydride / CH₂Cl₂; tetrahydrofuran; methanol / 0 - 20 °C

2.1: sodium hydroxide / CH₂Cl₂ / 0.5 h / 20 °C

2.2: 29 percent / CH₂Cl₂ / 0.5 h / 20 °C

With sodium hydroxide; diisobutylaluminium hydride; In hexane; dichloromethane;

DOI:10.1016/S0957-4166(02)00249-5

upstream raw materials:

hydrogen cyanide

Downstream raw materials:

naphthalene-2,7-dicarboxylic acid

2-(benzyloxycarbonyl)aminomethyl-7-(t-butoxycarbonylaminomethyl)naphthalene