2-Methyl-2-piperidin-1-ylpropanenitrile

Base Information

• Chemical Name: 2-Methyl-2-piperidin-1-ylpropanenitrile
• CAS No.: 2273-41-8
• Molecular Formula: C9H16 N2
• Molecular Weight: 152.239
• Hs Code.: 2933399090
• NSC Number: 150245
• DSSTox Substance ID: DTXSID90302328
• Nikkaji Number: J810.104C
• Wikidata: Q82047017
• Mol file: 2273-41-8.mol

Synonyms:2-methyl-2-piperidin-1-ylpropanenitrile;2273-41-8;a,a-Dimethyl-1-piperidineacetonitrile;1-(1-cyano-1-methylethyl)-piperidine;alpha,alpha-Dimethyl-1-piperidineacetonitrile;1-Piperidineacetonitrile, .alpha.,.alpha.-dimethyl-;NSC150245;dimethylpiperidinoacetonitrile;2-METHYL-2-(PIPERIDIN-1-YL)PROPANENITRILE;SCHEMBL1427314;DTXSID90302328;2-Methyl-2-piperidinopropanenitrile;MFCD10005351;AKOS009041188;NSC 150245;NSC-150245;I+/-,I+/--Dimethylpiperidylacetonitril;2-Methyl-2-(1-piperidinyl)propanenitrile;1-Piperidineacetonitrile,.alpha.-dimethyl-;FT-0667530

Chemical Property of 2-Methyl-2-piperidin-1-ylpropanenitrile

Chemical Property:

• Vapor Pressure: 0.0856mmHg at 25°C
• Boiling Point: 225.6°C at 760 mmHg
• Flash Point: 80.9°C
• PSA: 27.03000
• Density: 0.968g/cm³
• LogP: 1.71238
• Solubility.: Acetone, Chloroform
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.131348519
• Heavy Atom Count: 11
• Complexity: 169

Purity/Quality:

99% ^*data from raw suppliers

α,α-Dimethyl-1-piperidineacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C#N)N1CCCCC1
• Uses: α,α-Dimethyl-1-piperidineacetonitrile (cas# 2273-41-8) is a compound useful in organic synthesis.

Technology Process of 2-Methyl-2-piperidin-1-ylpropanenitrile

There total 4 articles about 2-Methyl-2-piperidin-1-ylpropanenitrile 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: 93.0%

piperidine (110-89-4) + 2-amino-2-cyanopropane (19355-69-2) → 2-methyl-2-(1-piperidinyl)propanenitrile (2273-41-8)

Guidance literature:

In neat (no solvent); at 40 - 60 ℃;

DOI:10.1134/S1070428014010047

Reference yield: 90.2%

piperidine (110-89-4) + 2-hydroxy-2-methylpropanenitrile (75-86-5) → 2-methyl-2-(1-piperidinyl)propanenitrile (2273-41-8)

Guidance literature:

In acetone; at 20 ℃; for 24h;

DOI:10.1055/s-2004-815954

Reference yield: 77.0%

→ 2-methyl-2-(1-piperidinyl)propanenitrile (2273-41-8)

Guidance literature:

upstream raw materials:

2-hydroxy-2-methylpropanenitrile

piperidine

2-amino-2-cyanopropane

Downstream raw materials:

piperidine

N-isopropylpiperidine

3-(4-(2-(piperidin-1-yl)propan-2-yl)phenyl)-9H-pyrrolo[2,3-b:5,4-c′]dipyridine-6-carbonitrile

1-(2-(4-bromophenyl)propan-2-yl)piperidine

Refernces

• 1、 Popov,Mokhov,Tankabekyan. "Transamination of a-amino nitriles". . p. 21 - 24. Retrieved 2014/03/21.
• 2、 Palecek, Jiri,Paleta, Oldrich. "Novel and convenient aldolization of methyl 3,3,3-trifluoropyruvate using enamines instead of ketones". . p. 521 - 524. Retrieved 2007/10/03.