5-Amino-2-(piperidin-1-yl)benzonitrile

Base Information

• Chemical Name: 5-Amino-2-(piperidin-1-yl)benzonitrile
• CAS No.: 34595-33-0
• Molecular Formula: C12H15N3
• Molecular Weight: 201.271
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID10445701
• Wikidata: Q82264216
• Mol file: 34595-33-0.mol

Synonyms:5-Amino-2-(piperidin-1-yl)benzonitrile;34595-33-0;5-amino-2-piperidin-1-ylbenzonitrile;SCHEMBL5793163;5-amino-2-piperidinobenzonitrile;DTXSID10445701;MLQIHUYICPOCGI-UHFFFAOYSA-N;MFCD14617260;AKOS010536183;DS-2251;2-(1-piperidinyl)-5-(amino)benzonitrile;CS-0155267;A874928

Chemical Property of 5-Amino-2-(piperidin-1-yl)benzonitrile

Chemical Property:

• Boiling Point: 431.5±35.0 °C(Predicted)
• PKA: 5.97±0.10(Predicted)
• PSA: 53.05000
• Density: 1.16±0.1 g/cm3(Predicted)
• LogP: 2.77698
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 201.126597491
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

99% ^*data from raw suppliers

5-Amino-2-(piperidin-1-yl)benzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=C(C=C(C=C2)N)C#N

Technology Process of 5-Amino-2-(piperidin-1-yl)benzonitrile

There total 6 articles about 5-Amino-2-(piperidin-1-yl)benzonitrile 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: 92.0%

5-nitro-2-(piperidin-1-yl)benzonitrile (32188-75-3) → 5-amino-2-(piperidin-1-yl)benzonitrile (34595-33-0)

Guidance literature:

With sodium tetrahydroborate; for 0.5h;

Reference yield:

5-nitro-2-(piperidin-1-yl)benzonitrile (32188-75-3) + iron (7439-89-6) → 5-amino-2-(piperidin-1-yl)benzonitrile (34595-33-0)

Guidance literature:

With sodium hydroxide; ammonium chloride; In ethanol; di-isopropyl ether; water;

Reference yield:

2-chloro-5-nitro-benzamide (16588-15-1) → 5-amino-2-(piperidin-1-yl)benzonitrile (34595-33-0)

Guidance literature:

Multi-step reaction with 3 steps

1: benzenesulfonyl chloride / DMF (N,N-dimethyl-formamide); toluene / 3 h / 20 - 145 °C

2: ethanol / 1 h / Heating / reflux

3: iron; ammonium chloride / ethanol; water / 0.83 h / 65 °C / Heating / reflux

With iron; ammonium chloride; benzenesulfonyl chloride; In DMF (N,N-dimethyl-formamide); ethanol; water; toluene;

upstream raw materials:

5-nitro-2-(piperidin-1-yl)benzonitrile

iron

2-chloro-5-nitro-benzamide

4-chloro-3-cyanonitrobenzene

Downstream raw materials:

5-chloro-2-piperidino-benzonitrile

5-chloro-2-piperidino-benzylacohol

(5-chloro-2-piperidino-phenyl)-methylamine

5-chloro-2-piperidino-benzylcyanide

Refernces

• 1、 -. "Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses". Page/Page column 38. . Retrieved 2010/10/20.
• 2、 -. "AMIDE COMPOUNDS AND MEDICINAL USE THEREOF". Page 54. . Retrieved 2010/01/31.