4-(Pyrrolidin-1-yl)oxane-4-carbonitrile

Base Information

• Chemical Name: 4-(Pyrrolidin-1-yl)oxane-4-carbonitrile
• CAS No.: 112799-20-9
• Molecular Formula: C₁₀H₁₆N₂O
• Molecular Weight: 180.25
• DSSTox Substance ID: DTXSID401213519
• Mol file: 112799-20-9.mol

Synonyms:4-(pyrrolidin-1-yl)oxane-4-carbonitrile;112799-20-9;4-pyrrolidin-1-yloxane-4-carbonitrile;DTXSID401213519;MFCD12064552;AKOS009987780;CS-0235088;EN300-152612;G41974;4-Pyrrolidin-1-yltetrahydro-2H-pyran-4-carbonitrile;Z447995202;TETRAHYDRO-4-(1-PYRROLIDINYL)-2H-PYRAN-4-CARBONITRILE

Chemical Property of 4-(Pyrrolidin-1-yl)oxane-4-carbonitrile

Chemical Property:

• PSA: 36.26000
• LogP: 1.09288
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 180.126263138
• Heavy Atom Count: 13
• Complexity: 218

Purity/Quality:

97% ^*data from raw suppliers

4-(Pyrrolidin-1-yl)oxane-4-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCN(C1)C2(CCOCC2)C#N

Technology Process of 4-(Pyrrolidin-1-yl)oxane-4-carbonitrile

There total 1 articles about 4-(Pyrrolidin-1-yl)oxane-4-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: 66.6%

pyrrolidine (123-75-1) + Tetrahydro-4H-pyran-4-one (29943-42-8,143562-54-3) + potassium cyanide (151-50-8) → 4-Pyrrolidino-tetrahydro-4H-pyran-4-carbonitril (112799-20-9)

Guidance literature:

With hydrogenchloride; for 12h; Ambient temperature;

DOI:10.1002/ardp.19873200413

Reference yield:

bromobenzene (108-86-1,52753-63-6) + 4-Pyrrolidino-tetrahydro-4H-pyran-4-carbonitril (112799-20-9) → N-(4-Phenyl-tetrahydro-4H-pyran-4-yl)-pyrrolidin

Guidance literature:

With magnesium; Yield given. Multistep reaction; 1.) ether, room temp., 1 h, 2.) ether, room temp., 24 h;

DOI:10.1002/ardp.19873200413

upstream raw materials:

pyrrolidine

Tetrahydro-4H-pyran-4-one

potassium cyanide