6-tert-Butyl-2,3-naphthalenedicarbonitrile

Base Information

• Chemical Name: 6-tert-Butyl-2,3-naphthalenedicarbonitrile
• CAS No.: 32703-82-5
• Molecular Formula: C₁₆H₁₄N₂
• Molecular Weight: 234.301
• Hs Code.: 2926909090
• European Community (EC) Number: 624-291-4
• DSSTox Substance ID: DTXSID50346521
• Nikkaji Number: J315.296K
• Wikidata: Q27166074
• ChEMBL ID: CHEMBL4303295
• Mol file: 32703-82-5.mol

Synonyms:32703-82-5;6-tert-Butyl-2,3-naphthalenedicarbonitrile;6-(tert-butyl)naphthalene-2,3-dicarbonitrile;BRD9876;6-tert-butylnaphthalene-2,3-dicarbonitrile;BRD 9876;MFCD00209558;Maybridge4_000492;SCHEMBL1893774;CHEMBL4303295;CHEBI:94271;DTXSID50346521;6-t-butyl-2,3-dicyanonaphthalene;HMS1522G08;AMY38493;BRD-9876;6-Tert.butyl-2,3-dicyanonaphthalen;CCG-56203;AKOS015916652;DS-8564;IDI1_031074;NCGC00177521-01;6-(t-Butyl)naphthalene-2,3-dicarbonitrile;HY-110208;CS-0033072;6-tert-Butyl-2,3-naphthalenedicarbonitrile #;O11512;6-tert-Butyl-2,3-naphthalenedicarbonitrile, 94%;A853610;J-018844;SR-01000645176-1;6-(1,1-Dimethylethyl)-2,3-naphthalenedicarbonitrile;BRD-K89329876-001-01-1;BRD-K89329876-001-05-2;Q27166074;2,?3-?Naphthalenedicarboni?trile, 6-?(1,?1-?dimethylethyl)?-

Chemical Property of 6-tert-Butyl-2,3-naphthalenedicarbonitrile

Chemical Property:

• Vapor Pressure: 1.38E-07mmHg at 25°C
• Melting Point: 185-189 °C(lit.)
• Refractive Index: 1.603
• Boiling Point: 429.7°C at 760 mmHg
• Flash Point: 206.6°C
• PSA: 47.58000
• Density: 1.11g/cm³
• LogP: 3.88066
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Acetonitrile (Slightly), Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 234.115698455
• Heavy Atom Count: 18
• Complexity: 400

Purity/Quality:

97% ^*data from raw suppliers

6-tert-Butyl-2,3-naphthalenedicarbonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=CC(=C(C=C2C=C1)C#N)C#N
• Uses: 6-tert-Butyl-2,3-naphthalenedicarbonitrile is a stain with bioloigcal research applications. Dyes and metabolites.

Technology Process of 6-tert-Butyl-2,3-naphthalenedicarbonitrile

There total 3 articles about 6-tert-Butyl-2,3-naphthalenedicarbonitrile 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: 43.0%

butenedinitrile (764-42-1) + α,α,α',α'-tetrabromo-4-t-butyl-o-xylene (183959-40-2) → 6-tert-butylnaphthalene-2,3-dicarbonitrile (32703-82-5)

Guidance literature:

With sodium iodide; In N,N-dimethyl-formamide; at 75 - 80 ℃; for 7h;

DOI:10.1039/b107689m

Reference yield:

α,α,α',α'-tetrabromo-4-t-butyl-o-xylene (183959-40-2) + 1,2-Dicyanoethylene (764-42-1) → 6-tert-butylnaphthalene-2,3-dicarbonitrile (32703-82-5)

Guidance literature:

With sodium iodide;

Reference yield:

4-t-butyl-o-xylene (7397-06-0) → 6-tert-butylnaphthalene-2,3-dicarbonitrile (32703-82-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NBS, (PhCO)2O₂ / Irradiation

2: NaI

With N-Bromosuccinimide; sodium iodide; dibenzoyl peroxide;

upstream raw materials:

α,α,α',α'-tetrabromo-4-t-butyl-o-xylene

1,2-Dicyanoethylene

butenedinitrile

4-t-butyl-o-xylene

Downstream raw materials:

tetra-{2,3-(6-tert-butyl)naphtho}-tetraazaporphinatooxyvanadium

zinc 2,11,20,29-tetra-tert-butyl-2,3-naphthalocyanine

CuC₉₆H₆₈N₈

Tetra-tert-butylnaphthalocyanine