1-Morpholin-4-ylcyclohexanecarbonitrile

Base Information

• Chemical Name: 1-Morpholin-4-ylcyclohexanecarbonitrile
• CAS No.: 42419-59-0
• Molecular Formula: C11H18N2O
• Molecular Weight: 194.277
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30962465
• Nikkaji Number: J72.700H
• Wikidata: Q82944146
• Mol file: 42419-59-0.mol

Synonyms:42419-59-0;1-Morpholin-4-ylcyclohexanecarbonitrile;1-Morpholinocyclohexanecarbonitrile;1-(1-Cyclohexyl)morpholine;BRN 0975691;1-(4-Morpholinyl)cyclohexanecarbonitrile;1-morpholin-4-ylcyclohexane-1-carbonitrile;Cyclohexanecarbonitrile, 1-(4-morpholinyl)-;Cyclohexanecarbonitrile, 1-morpholino-;1-(morpholin-4-yl)cyclohexane-1-carbonitrile;1-Morpholinocyclohexane-1-carbonitrile;1-(morpholin-4-yl)cyclohexanecarbonitrile;Cambridge id 5314351;Oprea1_588215;Oprea1_839460;1-morpholino-1-cyanocyclohexane;SCHEMBL18914692;DTXSID30962465;HMS1580O08;MFCD00652994;STK838535;AKOS001579679;LS-09128;LS-56537;BB 0218485;FT-0735712;1-(4-Morpholinyl)cyclohexanecarbonitrile, 96%;AB00080270-01;SR-01000390064;SR-01000390064-1

Chemical Property of 1-Morpholin-4-ylcyclohexanecarbonitrile

Chemical Property:

• Vapor Pressure: 0.00031mmHg at 25°C
• Boiling Point: 320.8°Cat760mmHg
• Flash Point: 147.8°C
• PSA: 36.26000
• Density: 1.07g/cm³
• LogP: 1.48298
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 194.141913202
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

99% ^*data from raw suppliers

1-Morpholin-4-ylcyclohexanecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)(C#N)N2CCOCC2

Technology Process of 1-Morpholin-4-ylcyclohexanecarbonitrile

There total 7 articles about 1-Morpholin-4-ylcyclohexanecarbonitrile 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%

morpholine (110-91-8,99108-56-2) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + 2-hydroxy-2-methylpropanenitrile (75-86-5) → 1-(morpholin-4-yl)cyclohexanecarbonitrile (42419-59-0)

Guidance literature:

With magnesium sulfate; In N,N-dimethyl acetamide; at 45 ℃; for 48h;

DOI:10.1016/0223-5234(96)85170-1

Reference yield: 99.0%

OC4H8NCC5H10(1+)*ClO4(1-)=(OC4H8NCC5H10)ClO4 (30822-30-1) + trimethylsilyl cyanide (7677-24-9) → 1-(morpholin-4-yl)cyclohexanecarbonitrile (42419-59-0)

Guidance literature:

With Co(II) complex supported on mesoporous SBA-15; at 40 - 45 ℃; for 0.5h; Closed vessel; Microwave irradiation;

DOI:10.1039/c1gc15741h

Reference yield: 96.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + di(morpholino)cyanoborane (477531-69-4) → 1-(morpholin-4-yl)cyclohexanecarbonitrile (42419-59-0)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 5h;

DOI:10.1039/b203645b

upstream raw materials:

morpholine

cyclohexanone

2-hydroxy-2-methylpropanenitrile

4-cyclohexen-1-ylmorpholine

Downstream raw materials:

1-[1-phenylcyclohexyl]morpholine hydrochloride

(1-morpholinocyclohexyl)methanamine

C₁₉H₂₈N₂O₃

TCM

Refernces

• 1、 -. "NOVEL IMIDAZOLE COMPOUND AND USE THEREOF AS MELANOCORTIN RECEPTOR AGONIST". Paragraph 0520. . Retrieved 2018/10/04.
• 2、 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.