4-Cyanopentylmorpholine

Base Information

• Chemical Name: 4-Cyanopentylmorpholine
• CAS No.: 84145-72-2
• Molecular Formula: C9H16 N2 O
• Molecular Weight: 168.239
• Hs Code.: 2934999090
• European Community (EC) Number: 282-301-9
• NSC Number: 96980
• UNII: WQ3NR5ME9H
• DSSTox Substance ID: DTXSID00233073
• Nikkaji Number: J333.047H
• Wikidata: Q83114406
• Mol file: 84145-72-2.mol

Synonyms:84145-72-2;4-Cyanopentylmorpholine;4-Morpholinepentanenitrile;5-Morpholinopentanenitrile;WQ3NR5ME9H;EINECS 282-301-9;NSC-96980;5-morpholin-4-ylpentanenitrile;4-Morpholinevaleronitrile;5-(morpholin-4-yl)pentanenitrile;NSC96980;UNII-WQ3NR5ME9H;SCHEMBL151040;5-(4-morpholinyl)pentanenitrile;DTXSID00233073;5-(Morpholino-4-yl)pentanenitrile;NSC 96980;AKOS009060050;CS-0305785;FT-0620677;EN300-1829667

Chemical Property of 4-Cyanopentylmorpholine

Chemical Property:

• Vapor Pressure: 0.00109mmHg at 25°C
• Boiling Point: 300.8°C at 760 mmHg
• Flash Point: 135.7°C
• PSA: 36.26000
• Density: 0.995g/cm³
• LogP: 0.95038
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 168.126263138
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

4-MORPHOLINEVALERONITRILE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COCCN1CCCCC#N

Technology Process of 4-Cyanopentylmorpholine

There total 4 articles about 4-Cyanopentylmorpholine 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: 95.0%

morpholine (110-91-8,99108-56-2) + δ-chlorovaleronitrile (6280-87-1) → 3-(morpholin-4-yl)-pentanenitrile (84145-72-2)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 72h;

DOI:10.3390/molecules24122247

Reference yield:

5-morpholino-pent-3-enenitrile → 3-(morpholin-4-yl)-pentanenitrile (84145-72-2)

Guidance literature:

With ethanol; platinum; Hydrogenation;

DOI:10.1021/ja01157a023

Reference yield:

(Z)-2,4-pentadienenitrile (2180-69-0) → 3-(morpholin-4-yl)-pentanenitrile (84145-72-2)

Guidance literature:

Multi-step reaction with 2 steps

2: platinum; ethanol / Hydrogenation

With ethanol; platinum;

DOI:10.1021/ja01157a023

upstream raw materials:

morpholine

δ-chlorovaleronitrile

(Z)-2,4-pentadienenitrile

Downstream raw materials:

4-morpholinobutyl 2-(3-(trifluoromethyl)phenylamino)pyridine-3-carboxylate

5-morpholino-pentylamine