2-Naphthylacetonitrile

Base Information

• Chemical Name: 2-Naphthylacetonitrile
• CAS No.: 7498-57-9
• Molecular Formula: C12H9N
• Molecular Weight: 167.21
• Hs Code.: 29269090
• European Community (EC) Number: 231-352-5
• NSC Number: 407556
• UNII: FK3B32KF2J
• DSSTox Substance ID: DTXSID90225942
• Nikkaji Number: J307.845K
• Mol file: 7498-57-9.mol

Synonyms:2-Naphthylacetonitrile;7498-57-9;2-(Naphthalen-2-yl)acetonitrile;2-Naphthaleneacetonitrile;2-naphthalen-2-ylacetonitrile;2-Naphthyl acetonitrile;2-(2-naphthyl)acetonitrile;MFCD00004122;naphthalene-2-acetonitrile;.beta.-Naphthyleneacetonitrile;2-naphtylacetonitrile;2-Napthylacetonitrile;2-Naphthylmethylcyanide;2-naphthyl-acetonitrile;EINECS 231-352-5;NSC407556;NSC-407556;AC-907/25014298;2-(2-naphthyl)ethanenitrile;naphth-2-ylacetonitrile;2-(Cyanomethyl)naphthalene;(beta-Naphthyl)acetonitrile;FK3B32KF2J;naphthalen-2-yl-acetonitrile;2-Naphthylacetonitrile, 97%;SCHEMBL348813;DTXSID90225942;AC-642;AKOS009156882;CS-W017832;NSC 407556;SY015803;TS-02257;FT-0613114;N0874;EN300-1168839;A838293;W-104401

Chemical Property of 2-Naphthylacetonitrile

Chemical Property:

• Appearance/Colour: white to light yellow powder
• Vapor Pressure: 0.000956mmHg at 25°C
• Melting Point: 82-84 °C(lit.)
• Refractive Index: 1.634
• Boiling Point: 303 °C at 760 mmHg
• Flash Point: 180.3 °C
• PSA: 23.79000
• Density: 1.116 g/cm³
• LogP: 2.90588
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Water Solubility.: Insoluble in water.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 167.073499291
• Heavy Atom Count: 13
• Complexity: 212

Purity/Quality:

99% ^*data from raw suppliers

2-Naphthylacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,C,F
• Hazard Codes: Xn,C,F
• Statements: 20/21/22-34-11
• Safety Statements: 36-24/25-45-36/37/39-26-16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)CC#N
• Uses: 2-Naphthylacetonitrile was used as starting reagent in the synthesis of 2-(1-cyano-1-(2-naphthyl))methylidene-3-phenyl-thiazolidine-4,5-dione.

Technology Process of 2-Naphthylacetonitrile

There total 47 articles about 2-Naphthylacetonitrile 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: 99.0%

carbonic acid, cyano(2-naphthyl)methyl ethyl ester (959842-57-0) → 2-naphthaleneacetonitrile (7498-57-9)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethyl acetate; at 20 ℃;

DOI:10.1016/S0040-4039(03)01322-4

Reference yield: 99.0%

2-(naphthalen-2-yl)-3-oxopropanenitrile (51074-11-4) → 2-naphthaleneacetonitrile (7498-57-9)

Guidance literature:

With water; In methanol; at 150 ℃; for 16h;

DOI:10.1021/ja201743j

Reference yield: 96.0%

sodium cyanide (143-33-9,25596-52-5) + 2-bromomethylnaphthyl bromide (939-26-4) → 2-naphthaleneacetonitrile (7498-57-9)

Guidance literature:

In ethanol; water; for 3h; Heating;

DOI:10.1016/S0957-4166(00)82251-X

upstream raw materials:

sodium cyanide

2-bromomethylnaphthyl bromide

potassium cyanide

naphthalene

Downstream raw materials:

N-Hydroxy-2-naphthalen-2-yl-acetamidine

Refernces

• 1、 -. "METHOD FOR MANUFACTURING AROMATIC NITRILE COMPOUND". Paragraph 0269-0277. . Retrieved 2021/03/19.
• 2、 Pirola, Margherita,Faverio, Chiara,Orlandi, Manuel,Benaglia, Maurizio. "Metal-Free Deoxygenation of Chiral Nitroalkanes: An Easy Entry to α-Substituted Enantiomerically Enriched Nitriles". supporting information. p. 10247 - 10250. Retrieved 2021/06/18.