1-Piperidinepropanenitrile

Base Information

• Chemical Name: 1-Piperidinepropanenitrile
• CAS No.: 3088-41-3
• Deprecated CAS: 4734-41-2
• Molecular Formula: C8H14 N2
• Molecular Weight: 138.213
• Hs Code.: 2933399090
• European Community (EC) Number: 221-417-6
• UNII: 6B5B8RPT7L
• DSSTox Substance ID: DTXSID5062843
• Nikkaji Number: J50.680J
• Wikidata: Q72500455
• ChEMBL ID: CHEMBL1193996
• Mol file: 3088-41-3.mol

Synonyms:3088-41-3;1-Piperidinepropanenitrile;3-piperidin-1-ylpropanenitrile;3-(piperidin-1-yl)propanenitrile;1-PIPERIDINEPROPIONITRILE;1-(2-Cyanoethyl)piperidine;3-Piperidinopropionitrile;beta-Piperidinopropionitrile;3-(1-Piperidine)propionitrile;BRN 0107858;3-(piperidin-1-yl)propionitrile;EINECS 221-417-6;3-(N-Piperidino)propionitrile;3-(1-piperidino)propionitrile;AI3-33248;5-20-03-00047 (Beilstein Handbook Reference);3-Piperidinopropanenitrile;1-Piperidine propionitrile;6B5B8RPT7L;SCHEMBL64284;3-Piperidin-1-ylpropanitrile;.beta.-Piperidinopropionitrile;3-(1-Piperidinyl)propionitrile;CHEMBL1193996;DTXSID5062843;3-(1-Piperidinyl)propanenitrile #;MFCD00006511;STK397830;AKOS000178246;AS-5631;LS-116144;CS-0216224;FT-0616364;EN300-36713;A876075;Z53115952;3-(1-Piperidino)propionitrile

Chemical Property of 1-Piperidinepropanenitrile

Chemical Property:

• Appearance/Colour: clear faint yellow clear liquid.
• Vapor Pressure: 0.0824mmHg at 25°C
• Melting Point: -6.8°C
• Refractive Index: n20/D 1.47(lit.)
• Boiling Point: 110-111 ºC (16 mmHg)
• PKA: 8.06±0.10(Predicted)
• Flash Point: 102 ºC
• PSA: 27.03000
• Density: 0.933
• LogP: 1.32388
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.115698455
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

3-Piperidin-1-ylpropanenitrile ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)CCC#N

Technology Process of 1-Piperidinepropanenitrile

There total 8 articles about 1-Piperidinepropanenitrile 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%

piperidine (110-89-4) + acrylonitrile (107-13-1,25014-41-9) → 3-(piperidin-1-yl)propionitrile (3088-41-3)

Guidance literature:

With copper diacetate; In water; at 20 ℃; for 12h;

DOI:10.1055/s-2003-42125

Reference yield:

piperidine (110-89-4) + bromopropionitrile (2417-90-5) → 3-(piperidin-1-yl)propionitrile (3088-41-3)

Guidance literature:

With potassium carbonate; potassium iodide; In acetonitrile; at 20 ℃; for 18h;

DOI:10.1016/j.bmcl.2005.12.084

Reference yield:

piperidine (110-89-4) + 3-Hydroxypropionitrile (109-78-4) → 3-(piperidin-1-yl)propionitrile (3088-41-3)

Guidance literature:

With tin; at 150 ℃;

upstream raw materials:

piperidine

3-Methoxypropionitrile

p-CH₃C₆H₄-O₂SO-CH₂CH₂CN

acrylonitrile

Downstream raw materials:

ethyl piperidine-1-propionate

3-piperidino-propionic acid-(1,1,3,3-tetramethyl-butylamide)

1-(3-aminopropyl)piperidine

bis-(3-piperidino-propyl)-amine

Refernces

• 1、 Koren-Goldshlager,Kashman,Schleyer. "Haliclorensin, a novel diamino alkaloid from the marine sponge Haliclona tulearensis". . p. 282 - 284. Retrieved 1998.
• 2、 Gopiraman, Mayakrishnan,Saravanamoorthy, Somasundaram,Baskar, Ramaganthan,Ilangovan, Andivelu,Ill-Min, Chung. "Green synthesis of Ag@Au bimetallic regenerated cellulose nanofibers for catalytic applications". . p. 17090 - 17103. Retrieved 2019/11/14.
• 3、 Islam, Md. Shaharul,Mandal, Bablu Hira,Biswas, Tapan Kumar,Rahman, Md. Lutfor,Rashid,Tan, Suat-Hian,Sarkar, Shaheen M.. "Tapioca cellulose based copper nanoparticles for chemoselective N-alkylation". . p. 550 - 557. Retrieved 2017/01/05.