Morpholine-2-carbonitrile

Base Information

• Chemical Name: Morpholine-2-carbonitrile
• CAS No.: 135782-24-0
• Molecular Formula: C5H8N2O
• Molecular Weight: 112.12982
• Hs Code.: 2934999090
• ChEMBL ID: CHEMBL4585769
• DSSTox Substance ID: DTXSID40577640
• Mol file: 135782-24-0.mol

Synonyms:morpholine-2-carbonitrile;135782-24-0;2-MORPHOLINECARBONITRILE;morpholine-2-carbonitrile hcl;SCHEMBL2444590;CHEMBL4585769;DTXSID40577640;AKOS006239094;MB01840;BS-12908;CS-0103652;EN300-53006;F18992;J-522717;F0001-2713

Chemical Property of Morpholine-2-carbonitrile

Chemical Property:

• Vapor Pressure: 0.016mmHg at 25°C
• Refractive Index: 1.475
• Boiling Point: 256.044°C at 760 mmHg
• PKA: 6.83±0.40(Predicted)
• Flash Point: 108.652°C
• PSA: 45.05000
• Density: 1.108g/cm³
• LogP: -0.17282
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 112.063662883
• Heavy Atom Count: 8
• Complexity: 115

Purity/Quality:

98%min ^*data from raw suppliers

Morpholine-2-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC(CN1)C#N
• Uses: 2-Morpholinecarbonitrile is used to prepare potent antagonists of LFA-1/ICAM-1 interaction and amide SAR.

Technology Process of Morpholine-2-carbonitrile

There total 1 articles about Morpholine-2-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:

ethanolamine (141-43-5) + 2-Chloroacrylonitrile (920-37-6) → morpholine-2-carbonitrile (135782-24-0,1359658-57-3,1262484-62-7)

Guidance literature:

With potassium tert-butylate; Yield given. Multistep reaction;

DOI:10.1016/S0040-4039(00)79702-4

Reference yield: 80.0%

ethanol (64-17-5) + morpholine-2-carbonitrile (135782-24-0,1359658-57-3,1262484-62-7) → 2-morpholinecarboxylic acid ethyl ester (135782-25-1)

Guidance literature:

With sulfuric acid;

DOI:10.1016/S0040-4039(00)79702-4

Reference yield:

N'-{5-[1-(3-Benzoylphenyl)ethyl]-1,3,4-oxadiazol-2-yl}-N,N-dimethyl-4-thiomorpholinecarboximidamide hydrochloride + morpholine-2-carbonitrile (135782-24-0,1359658-57-3,1262484-62-7) → N'-{5-[1-(3-Benzoylphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-morpholine carboximidamide (321874-33-3)

Guidance literature:

With NaH; In tetrahydrofuran; water;

upstream raw materials:

ethanolamine

2-Chloroacrylonitrile

Downstream raw materials:

2-morpholinecarboxylic acid ethyl ester

(2-isopropylphenyl)[2-nitro-4-(E-((3-cyanomorpholin-1-yl)carbonyl)ethenyl)phenyl] sulfide

N'-{5-[1-(3-Benzoylphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-morpholine carboximidamide

Refernces