4-Morpholinecarbonitrile

Base Information

• Chemical Name: 4-Morpholinecarbonitrile
• CAS No.: 1530-89-8
• Molecular Formula: C5H8N2O
• Molecular Weight: 112.131
• Hs Code.: 2934999090
• European Community (EC) Number: 216-235-9
• NSC Number: 44243
• UNII: J46WIZ61MZ
• DSSTox Substance ID: DTXSID50165193
• Nikkaji Number: J150.001E
• Wikidata: Q27281181
• Mol file: 1530-89-8.mol

Synonyms:1-cyanomorpholine;1-morpholinocarbonitrile;4-cyanomorpholine;4-morpholinecarbonitrile;4-morpholinocarbonitrile

Chemical Property of 4-Morpholinecarbonitrile

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 0.0175mmHg at 25°C
• Refractive Index: n20/D 1.473(lit.)
• Boiling Point: 254.2 °C at 760 mmHg
• PKA: -6.85±0.20(Predicted)
• Flash Point: 104.4 °C
• PSA: 36.26000
• Density: 1.12 g/cm³
• LogP: -0.26242
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 112.063662883
• Heavy Atom Count: 8
• Complexity: 109

Purity/Quality:

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

4-Morpholinecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1COCCN1C#N
• Uses: 4-Morpholinecarbonitrile was used in the synthesis of substituted heterocyclic compounds.

Technology Process of 4-Morpholinecarbonitrile

There total 18 articles about 4-Morpholinecarbonitrile 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: 100.0%

morpholine (110-91-8,99108-56-2) + bromocyane (506-68-3) → N-cyanomorpholine (1530-89-8)

Guidance literature:

Reference yield: 99.0%

{(CO)NiNCN(CH2)2O(CH2)2}2 → N-cyanomorpholine (1530-89-8) + nickel (7440-02-0)

Guidance literature:

byproducts: CO; thermal dissociation in high vacuum;

Reference yield: 89.0%

morpholinoethyl amide (5625-98-9) → N-cyanomorpholine (1530-89-8)

Guidance literature:

With tetraethylammonium bromide; In acetonitrile; at 60 ℃; for 0.416667h;

DOI:10.1055/s-2007-991093

upstream raw materials:

morpholine

bromocyane

4-chloromorpholine

potassium cyanide

Downstream raw materials:

2-morpholin-4-yl-2-thiazole-4(5H)-one

2,4-diamino-6-morpholino-1,3,5-triazine

morpholinothiourea

5-(4-morpholinyl)-1H-1,2,3,4-tetrazole

Refernces

• 1、 Chen, Zimin,Yuan, Weiming. "N-Cyanation of Primary and Secondary Amines with Cyanobenzio-doxolone (CBX) Reagent". supporting information. p. 14836 - 14840. Retrieved 2021/09/30.
• 2、 Melekhova, Anna A.,Novikov, Alexander S.,Dubovtsev, Alexey Yu.,Zolotarev, Andrey A.,Bokach, Nadezhda A.. "Tris(3,5-dimethylpyrazolyl)methane copper(I) complexes featuring one disubstituted cyanamide ligand". . p. 69 - 74. Retrieved 2018/09/22.