Cyclohexanecarbonitrile, 1-(1-pyrrolidinyl)-

Base Information

• Chemical Name: Cyclohexanecarbonitrile, 1-(1-pyrrolidinyl)-
• CAS No.: 22912-25-0
• Molecular Formula: C11H18 N2
• Molecular Weight: 178.277
• NSC Number: 96906
• UNII: 65V9NIP0CL
• DSSTox Substance ID: DTXSID10177459
• Nikkaji Number: J34.002B
• Wikidata: Q83047787
• Mol file: 22912-25-0.mol

Synonyms:Cyclohexanecarbonitrile, 1-(1-pyrrolidinyl)-;1-(1-Cyanocyclohexyl)pyrrolidine;22912-25-0;1-Pyrrolidinocyclohexanecarbonitrile;Cyclohexanecarbonitrile, 1-pyrrolidino-;1-pyrrolidin-1-ylcyclohexane-1-carbonitrile;65V9NIP0CL;NSC-96906;NSC 96906;BRN 1367051;NSC96906;UNII-65V9NIP0CL;5-20-01-00358 (Beilstein Handbook Reference);SCHEMBL8510561;DTXSID10177459;BFONNRLSLNCPJF-UHFFFAOYSA-N;STL220133;AKOS009985817;1-(1-Pyrrolidinyl)cyclohexanecarbonitrile;1-(pyrrolidin-1-yl)cyclohexanecarbonitrile;1-(1-Pyrrolidinyl)cyclohexanecarbonitrile #

Chemical Property of Cyclohexanecarbonitrile, 1-(1-pyrrolidinyl)-

Chemical Property:

• Vapor Pressure: 0.00196mmHg at 25°C
• Boiling Point: 291.3°Cat760mmHg
• Flash Point: 119.2°C
• PSA: 27.03000
• Density: 1.02g/cm³
• LogP: 2.24658
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 178.146998583
• Heavy Atom Count: 13
• Complexity: 214

Purity/Quality:

99% ^*data from raw suppliers

1-(PYRROLIDIN-1-YL)CYCLOHEXANE-1-CARBONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)(C#N)N2CCCC2

Technology Process of Cyclohexanecarbonitrile, 1-(1-pyrrolidinyl)-

There total 6 articles about Cyclohexanecarbonitrile, 1-(1-pyrrolidinyl)- 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: 98.0%

trimethylsilyl cyanide (7677-24-9) + 1-Pyrrolidinyl-1-cyclohexen-hydroperchlorat → 1-Pyrrolidin-1-yl-cyclohexanecarbonitrile (22912-25-0)

Guidance literature:

With Co(II) complex supported on mesoporous SBA-15; at 40 ℃; for 3h;

DOI:10.1039/c0gc00047g

Reference yield: 88.0%

pyrrolidine (123-75-1) + sodium cyanide (143-33-9,25596-52-5) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-Pyrrolidin-1-yl-cyclohexanecarbonitrile (22912-25-0)

Guidance literature:

With sodium hydrogensulfite; at 20 ℃;

DOI:10.1016/S0022-1139(01)00565-6

Reference yield: 85.0%

pyrrolidine (123-75-1) + trimethylsilyl cyanide (7677-24-9) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-Pyrrolidin-1-yl-cyclohexanecarbonitrile (22912-25-0)

Guidance literature:

With Nafion-Fe; In neat (no solvent); at 100 ℃; for 1h; Sealed tube; Microwave irradiation; Green chemistry;

DOI:10.1007/s10562-012-0958-2

upstream raw materials:

pyrrolidine

potassium cyanide

cyclohexanone

1-(1-Cyclohexen-1-yl)pyrrolidine

Downstream raw materials:

1-pyrrolidin-1-yl-1-vinylcyclohexane

1-(1-Cyclohexen-1-yl)pyrrolidine

1-pyrrolidin-1-yl-cyclohexanecarboxylic acid amide

(2-cyclohexylideneethyl)benzene

Refernces

• 1、 Surya Prakash,Bychinskaya, Inessa,Marinez, Eric R.,Mathew, Thomas,Olah, George A.. "Nafion-Fe: A new efficient "green" lewis acid catalyst for the ketonic strecker reaction". . p. 303 - 312. Retrieved 2013/05/09.
• 2、 Rajabi, Fatemeh,Ghiassian, Sara,Saidi, Mohammad Reza. "Efficient Co(ii) heterogeneously catalysed synthesis of α-aminonitriles at room temperature via Strecker-type reactions". supporting information; experimental part. p. 1349 - 1352. Retrieved 2010/09/15.