2,4,6-Cycloheptatriene-1-carbonitrile

Base Information

• Chemical Name: 2,4,6-Cycloheptatriene-1-carbonitrile
• CAS No.: 13612-59-4
• Molecular Formula: C8H7N
• Molecular Weight: 117.15
• Hs Code.: 2926909090
• Mol file: 13612-59-4.mol

Synonyms:1,3,5-Cycloheptatriene-7-carbonitrile;1-Cyano-2,4,6-cycloheptatriene;2,4,6-Cycloheptatrienecarbonitrile;7-Cyano-1,3,5-cycloheptatriene;7-Cyanocycloheptatriene;

Chemical Property of 2,4,6-Cycloheptatriene-1-carbonitrile

Chemical Property:

• Vapor Pressure: 0.0245mmHg at 25°C
• Refractive Index: n20/D 1.533(lit.)
• Boiling Point: 248.26 °C at 760 mmHg
• Flash Point: 87.563 °C
• PSA: 23.79000
• Density: 1.005 g/cm³
• LogP: 1.80838
• Storage Temp.: 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

Cyclohepta-2,4,6-trienecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 2,4,6-Cycloheptatriene-1-carbonitrile (7-cyanocycloheptatriene ) may be used in the synthesis of 7-carbomethoxycycloheptatriene. It may be used as model compound for EPR and intramolecular proton transfer studies of cycloheptatriene radicals and anions. It can also be used to generate dihydroazocines and hydrooxocins.

Technology Process of 2,4,6-Cycloheptatriene-1-carbonitrile

There total 18 articles about 2,4,6-Cycloheptatriene-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: 90.0%

tropylium hexachlorophosphate chloride → cyclohepta-2,4,6-triene-1-carbonitrile (13612-59-4)

Guidance literature:

In benzene; at 20 ℃; for 0.25h;

DOI:10.1007/BF02464312

Reference yield: 81.0%

potassium cyanide (151-50-8) + tropylium bromide → cyclohepta-2,4,6-triene-1-carbonitrile (13612-59-4)

Guidance literature:

In water;

DOI:10.1002/mrc.1260280415

Reference yield: 53.0%

4-diazo-1,2,3-triazole (85807-68-7) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → cyclohepta-2,4,6-triene-1-carbonitrile (13612-59-4) + 2-cyanocycloheptatriene (19052-84-7) + cycloheptatrienecarbonitrile (19052-79-0) + 5-phenyl-1H-1,2,3-triazole (1680-44-0)

Guidance literature:

for 6h; Further byproducts given; Heating;

DOI:10.1016/S0040-4039(00)85773-1

upstream raw materials:

potassium cyanide

7-ethoxy-1,3,5-cycloheptatriene

diazoacetonitrile

benzene

Downstream raw materials:

cyclohepta-2,4,6-trienecarboxylic acid

cyclohepta-2,4,6-trienecarboxamide

tropylium perchlorate

7-isopropyl-7-cyanocycloheptatriene

Refernces

• 1、 Takahashi,K. et al.. "-". . p. 200 - 207. Retrieved 1970.
• 2、 MacCorquodale, Finlay,Walton, John C.. "Cycloheptatrienyl Radicals: An EPR Study of Substituent Effects". . p. 364 - 369. Retrieved 1990.
• 3、 Noskov,Kuritsyna,Syrova,Sokal'skii,Noskova,Kruglyak,Kurochkin. "Synthesis of some 1,3,5-cycloheptatriene derivatives from tropylium hexachlorophosphate chloride". . p. 494 - 496. Retrieved 2007/10/03.