2-Amino-2-(pyridin-3-yl)acetonitrile

Base Information

• Chemical Name: 2-Amino-2-(pyridin-3-yl)acetonitrile
• CAS No.: 131988-63-1
• Molecular Formula: C7H7 N3
• Molecular Weight: 133.153
• Hs Code.: 2933399090
• UNII: CF8ZXY52PP
• DSSTox Substance ID: DTXSID90569696
• Nikkaji Number: J2.127.452F
• Mol file: 131988-63-1.mol

Synonyms:2-Amino-2-(pyridin-3-yl)acetonitrile;131988-63-1;amino(pyridin-3-yl)acetonitrile;2-amino-2-pyridin-3-ylacetonitrile;alpha-Amino-3-pyridineacetonitrile;3-Pyridineacetonitrile,alpha-amino-(9CI);CF8ZXY52PP;SCHEMBL5931850;SGCPBVKKDRXBIB-UHFFFAOYSA-;DTXSID90569696;SGCPBVKKDRXBIB-UHFFFAOYSA-N;2-amino-2-pyrid-3-yl-ethanenitrile;3-Pyridineacetonitrile, alpha-amino-;AKOS000124088;AKOS016051326;SB54283;alpha-amino-alpha(3-pyridyl)acetonitril;alpha-Amino-alpha-(3-pyridyl)acetonitrile;CS-0438820;EN300-31132;InChI=1/C7H7N3/c8-4-7(9)6-2-1-3-10-5-6/h1-3,5,7H,9H2

Chemical Property of 2-Amino-2-(pyridin-3-yl)acetonitrile

Chemical Property:

• PSA: 62.70000
• LogP: 1.30528
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 133.063997236
• Heavy Atom Count: 10
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-2-(pyridin-3-yl)acetonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(C#N)N
• Uses: α-Amino-3-pyridineacetonitrile is an intermediate in the synthesis of FP-TZTP, >85% (F756500) which is an M2 selective muscarinic agonist that may allow noninvasive studies of Alzheimer''s disease with PET.

Technology Process of 2-Amino-2-(pyridin-3-yl)acetonitrile

There total 6 articles about 2-Amino-2-(pyridin-3-yl)acetonitrile 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: 78.0%

2-hydroxy-2-(pyridin-3-yl)acetonitrile (17604-74-9,107986-64-1) → 2-amino-2-(pyridin-3-yl)acetonitrile (131988-63-1)

Guidance literature:

With ammonia; ammonium chloride; In water; at 20 ℃; for 18h;

Reference yield: 28.0%

3-pyridinecarboxaldehyde (500-22-1) + 2-hydroxy-2-methylpropanenitrile (75-86-5) → 2-amino-2-(pyridin-3-yl)acetonitrile (131988-63-1)

Guidance literature:

3-pyridinecarboxaldehyde; With lithium hexamethyldisilazane; In tetrahydrofuran; at 25 ℃; for 4h;

2-hydroxy-2-methylpropanenitrile; In tetrahydrofuran; at 25 ℃; for 12h;

DOI:10.1081/SCC-200043270

Reference yield:

3-pyridinecarboxaldehyde (500-22-1) → 2-amino-2-(pyridin-3-yl)acetonitrile (131988-63-1)

Guidance literature:

Multi-step reaction with 2 steps

1: AcOH / H₂O / 18 h / Ambient temperature

2: aq. NH₄Cl, 25percent aq. NH₃ / 18 h / Ambient temperature

With ammonium hydroxide; ammonium chloride; acetic acid; In water;

DOI:10.1021/jm00090a019

upstream raw materials:

3-pyridinecarboxaldehyde

potassium cyanide

2-hydroxy-2-(pyridin-3-yl)acetonitrile

2-hydroxy-2-methylpropanenitrile

Downstream raw materials:

3-(4-chloro-1,2,5-thiadiazol-3-yl)pyridine

xanomeline

2-amino-2-(pyridin-3-yl)acetic acid

2-((tert-butoxycarbonyl)amino)-2-(pyridin-3-yl)acetic acid