2-(Piperidinomethyl)acrylonitrile

Base Information

• Chemical Name: 2-(Piperidinomethyl)acrylonitrile
• CAS No.: 27315-95-3
• Molecular Formula: C9H14 N2
• Molecular Weight: 150.22
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID50380268
• Wikidata: Q82170438
• Mol file: 27315-95-3.mol

Synonyms:2-(piperidinomethyl)acrylonitrile;27315-95-3;2-(piperidin-1-ylmethyl)prop-2-enenitrile;2-[(piperidin-1-yl)methyl]prop-2-enenitrile;2-Piperidinomethylacrylonitrile;SCHEMBL10257031;DTXSID50380268;alpha-Piperidinomethylacrylonitrile;OPVQYFLTGBIQKG-UHFFFAOYSA-N;CBA31595;2-(1-Piperidylmethyl)propenenitrile;2-Piperidin-1-ylmethyl-acrylonitrile;MFCD00052023;2-(Piperidin-1-ylmethyl)acrylonitrile;AKOS006227631;AS-5720;CS-0323818;FT-0608912

Chemical Property of 2-(Piperidinomethyl)acrylonitrile

Chemical Property:

• Vapor Pressure: 0.0138mmHg at 25°C
• Boiling Point: 258.3°Cat760mmHg
• PKA: 8.14±0.10(Predicted)
• Flash Point: 104°C
• PSA: 27.03000
• Density: 0.96g/cm³
• LogP: 1.48998
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.115698455
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

98%Min ^*data from raw suppliers

2-Piperidin-1-ylmethyl-acrylonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=C(CN1CCCCC1)C#N

Technology Process of 2-(Piperidinomethyl)acrylonitrile

There total 4 articles about 2-(Piperidinomethyl)acrylonitrile 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: 77.0%

piperidine (110-89-4) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + cyanoacetic acid (372-09-8) → α-piperidinomethylacrylonitrile (27315-95-3)

Guidance literature:

In benzene; for 6h; Heating;

DOI:10.1080/00397919508013856

Reference yield:

piperidine (110-89-4) + aqueous potassium carbonate + cyanoacetic acid (372-09-8) → α-piperidinomethylacrylonitrile (27315-95-3)

Guidance literature:

With formaldehyd; In 1,4-dioxane; (2S)-N-methyl-1-phenylpropan-2-amine hydrate;

Reference yield:

piperidine (110-89-4) + cyanacetic acid → α-piperidinomethylacrylonitrile (27315-95-3)

Guidance literature:

With formaldehyd; In water;

upstream raw materials:

piperidine

formaldehyd

cyanoacetic acid

Downstream raw materials:

1-phenyl-4-piperidin-1-ylmethyl-4,5-dihydro-1H-pyrazol-3-ylamine

Refernces

• 1、 -. "2-(Substitutedpiperidylmethyl)propene and propane nitriles". . . Retrieved 2008/06/13.
• 2、 -. "3-Pyrazolidinone derivatives". . . Retrieved 2008/06/13.