(3R)-3-azaniumyl-3-pyridin-3-ylpropanoate

Base Information

• Chemical Name: (3R)-3-azaniumyl-3-pyridin-3-ylpropanoate
• CAS No.: 155050-17-2
• Molecular Formula: C₈H₁₀N₂O₂
• Molecular Weight: 166.18
• Mol file: 155050-17-2.mol

Synonyms:

Chemical Property of (3R)-3-azaniumyl-3-pyridin-3-ylpropanoate

Chemical Property:

• Vapor Pressure: 1.4E-05mmHg at 25°C
• Boiling Point: 352.6°Cat760mmHg
• PKA: 3.06±0.12(Predicted)
• Flash Point: 167°C
• PSA: 76.21000
• Density: 1.268g/cm³
• LogP: 1.25640
• Storage Temp.: 2-8°C
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

90.0%Min ^*data from raw suppliers

(R)-3-Amino-3-(3-pyridyl)-propionicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CN=C1)C(CC(=O)[O-])[NH3+]
• Isomeric SMILES: C1=CC(=CN=C1)[C@@H](CC(=O)[O-])[NH3+]

Technology Process of (3R)-3-azaniumyl-3-pyridin-3-ylpropanoate

There total 14 articles about (3R)-3-azaniumyl-3-pyridin-3-ylpropanoate 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: 99.0%

3-pyridinecarboxaldehyde (500-22-1) + malonic acid (141-82-2) → 3-amino-3-(pyridin-3-yl)propanoic acid (62247-21-6,129043-04-5,155050-17-2)

Guidance literature:

With ammonium acetate; In ethanol; for 20h; Reflux;

DOI:10.1021/ml5002079

Reference yield: 49.3%

3-pyridinecarboxaldehyde (500-22-1) → 3-amino-3-(pyridin-3-yl)propanoic acid (62247-21-6,129043-04-5,155050-17-2)

Guidance literature:

With ammonium acetate; malonic acid; In methanol; ethanol;

Reference yield: 38.0%

3-pyridinecarboxaldehyde (500-22-1) + malonic acid (141-82-2) → 3-amino-3-(pyridin-3-yl)propanoic acid (62247-21-6,129043-04-5,155050-17-2) + trans-3-(3-pyridyl)acrylic acid (19337-97-4,1126-74-5)

Guidance literature:

With ammonium acetate; In butan-1-ol; Heating;

DOI:10.1007/s11176-005-0377-9

upstream raw materials:

3-pyridinecarboxaldehyde

malonic acid

ammonium acetate

trans-3-(3-pyridyl)acrylic acid

Refernces

• 1、 Adams, James,Anderson, Edward C.,Blackham, Emma E.,Chiu, Yin Wa Ryan,Clarke, Thomas,Eccles, Natasha,Gill, Luke A.,Haye, Joshua J.,Haywood, Harvey T.,Hoenig, Christian R.,Kausas, Marius,Le, Joelle,Russell, Hannah L.,Smedley, Christopher,Tipping, William J.,Tongue, Tom,Wood, Charlotte C.,Yeung, Jason,Rowedder, James E.,Fray, M. Jonathan,McInally, Thomas,Macdonald, Simon J. F.. "Structure activity relationships of αv integrin antagonists for pulmonary fibrosis by variation in aryl substituents". supporting information. p. 1207 - 1212. Retrieved 2015/04/27.
• 2、 Guo, Zhiqiang,Wu, Dongpei,Zhu, Yun-Fei,Tucci, Fabio C.,Regan, Collin F.,Rowbottom, Martin W.,Struthers, R. Scott,Xie, Qiu,Reijmers, Shelby,Sullivan, Susan K.,Sai, Yang,Chen, Chen. "Structure-activity relationships of 1,3,5-triazine-2,4,6-triones as human gonadotropin-releasing hormone receptor antagonists". . p. 3685 - 3690. Retrieved 2007/10/03.