1,3,5-Cyclohexanetricarbonitrile

Base Information

• Chemical Name: 1,3,5-Cyclohexanetricarbonitrile
• CAS No.: 183582-92-5
• Molecular Formula: C₉H₉N₃
• Molecular Weight: 159.191
• European Community (EC) Number: 678-359-3,680-113-5
• Nikkaji Number: J1.557.043A,J1.557.044J,J1.557.045H
• Mol file: 183582-92-5.mol

Synonyms:1,3,5-Cyclohexanetricarbonitrile;183582-92-5;168280-46-4;Cyclohexane-1,3,5-tricarbonitrile;1,3,5-CYCLOHEXANETRICARBONITRILE, (1ALPHA,3ALPHA,5ALPHA)-;MFCD08276327;1,3,5-Tricyanocyclohexane;SCHEMBL2024288;(1alpha,3alpha,5alpha)-1,3,5-Cyclohexanetricarbonitrile;AKOS015914344;BS-43934;C1967;C2327;D89471;D89504;(1alpha,3alpha,5alpha)-1,3,5-Tricyanocyclohexane;(1|A,3|A,5|A)-Cyclohexane-1,3,5-tricarbonitrile

Chemical Property of 1,3,5-Cyclohexanetricarbonitrile

Chemical Property:

• Vapor Pressure: 2.56E-07mmHg at 25°C
• Boiling Point: 200°C/0.2mmHg(lit.)
• PSA: 71.37000
• LogP: 1.58964
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 159.079647300
• Heavy Atom Count: 12
• Complexity: 240

Purity/Quality:

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

1,3,5-Cyclohexanetricarbonitrile (cis- and trans- mixture) >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC(CC1C#N)C#N)C#N

Technology Process of 1,3,5-Cyclohexanetricarbonitrile

There total 11 articles about 1,3,5-Cyclohexanetricarbonitrile 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: 79.0%

cis,cis-cyclohexane-1,3,5-tricarboxamide (99063-92-0) → (1α,3α,5α)-1,3,5-tricyanocyclohexane (168280-46-4,183582-92-5)

Guidance literature:

With thionyl chloride; N,N-dimethyl-formamide; In 1,2-dichloro-ethane; at 45 - 50 ℃; for 3h;

Reference yield: 78.0%

cyclohexane-1,3,5-tricarboxamide → cyclohexane-1,3,5-carboxonitrile (183582-92-5)

Guidance literature:

With phosphorus pentoxide; at 325 ℃; for 1h; under 15.0015 - 37.5038 Torr; Temperature; Autoclave;

Reference yield: 78.0%

→ cyclohexane-1,3,5-carboxonitrile (183582-92-5)

Guidance literature:

With phosphorus pentoxide; at 325 ℃; for 1h; Temperature;

upstream raw materials:

cis,cis-cyclohexane-1,3,5-tricarboxamide

cis-1,3,5-cyclohexane tricarboxylic acid

(1S,3S,5S)-cyclohexane-1,3,5-tricarbonyl trichloride

triphenyl cis,cis-cyclohexane-1,3,5-tricarboxylate

Refernces

• 1、 -. "Corresponding amine nitrile and method of manufacturing thereof". Paragraph 0136; 0137; 0138; 0142. . Retrieved 2018/07/15.
• 2、 Cooper, James A.,Street, Steven T. G.,Davis, Anthony P.. "A flexible solution to anion transport: Powerful anionophores based on a cyclohexane scaffold". supporting information. p. 5609 - 5613. Retrieved 2014/06/10.