2-(5-Aminopyridin-2-YL)-2-methylpropanenitrile

Base Information

• Chemical Name: 2-(5-Aminopyridin-2-YL)-2-methylpropanenitrile
• CAS No.: 1226776-95-9
• Molecular Formula: C9H11N3
• Molecular Weight: 161.20374
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID90693824
• Wikidata: Q72441687
• Mol file: 1226776-95-9.mol

Synonyms:1226776-95-9;2-(5-AMINOPYRIDIN-2-YL)-2-METHYLPROPANENITRILE;2-(5-Amino-2-pyridyl)-2-methylpropanenitrile;2-(5-Aminopyridin-2-yl)-2-methylpropanenitrille;2-(5-AMINO-PYRIDIN-2-YL)-2-METHYL-PROPIONITRILE;MFCD16495866;SCHEMBL358552;DTXSID90693824;ONYGTHTZAUUIJI-UHFFFAOYSA-N;AKOS005259535;CS-W003879;SB32011;AS-30709;SY007455;FT-0712547;A891069;2-Pyridineacetonitrile, 5-amino-alpha,alpha-dimethyl-

Chemical Property of 2-(5-Aminopyridin-2-YL)-2-methylpropanenitrile

Chemical Property:

• Boiling Point: 345.922 °C at 760 mmHg
• Flash Point: 163.008 °C
• PSA: 62.70000
• Density: 1.112 g/cm³
• LogP: 2.04618
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 161.095297364
• Heavy Atom Count: 12
• Complexity: 201

Purity/Quality:

99% ^*data from raw suppliers

2-(5-Aminopyridin-2-yl)-2-methylpropanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C#N)C1=NC=C(C=C1)N

Technology Process of 2-(5-Aminopyridin-2-YL)-2-methylpropanenitrile

There total 1 articles about 2-(5-Aminopyridin-2-YL)-2-methylpropanenitrile 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: 65.3%

2-methyl-2-(5-nitropyridin-2-yl)-propanenitrile (1256633-31-4) → 2-(5-aminopyridin-2-yl)-2-methylpropanenitrile (1226776-95-9)

Guidance literature:

2-methyl-2-(5-nitropyridin-2-yl)-propanenitrile; With tin(II) chloride dihdyrate; In ethyl acetate; for 4h; Reflux;

With sodium hydroxide; In water; ethyl acetate; at 20 ℃; pH=8 - 9;

Reference yield:

2-(5-aminopyridin-2-yl)-2-methylpropanenitrile (1226776-95-9) + 2-(2-fluoro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)acetic acid → N-(6-(2-cyanopropan-2-yl)pyridin-3-yl)-2-(2-fluoro-4-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)acetamide

Guidance literature:

With pyridine; 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; In ethyl acetate; at 20 ℃; for 18h;

upstream raw materials:

2-methyl-2-(5-nitropyridin-2-yl)-propanenitrile

Refernces

• 1、 -. "FUSED HETEROARYLS AND THEIR USES". Paragraph 0146; 0150. . Retrieved 2013/07/31.
• 2、 -. "SUBSTITUTED IMIDAZOQUINOLINE DERIVATIVES AS KINASE INHIBITORS". Page/Page column 51. . Retrieved 2012/02/02.