3-(pyridin-2-ylamino)propanoic Acid

Base Information

• Chemical Name: 3-(pyridin-2-ylamino)propanoic Acid
• CAS No.: 104961-64-0
• Molecular Formula: C8H10N2O2
• Molecular Weight: 166.18
• Hs Code.: 2933399090
• UNII: 38P56V4DL8
• DSSTox Substance ID: DTXSID00475153
• Nikkaji Number: J1.538.479D
• ChEMBL ID: CHEMBL21257
• Mol file: 104961-64-0.mol

Synonyms:3-(pyridin-2-ylamino)propanoic Acid;104961-64-0;N-(2-Pyridyl)-beta-alanine;N-(2-PYRIDINYL)-BETA-ALANINE;3-[(pyridin-2-yl)amino]propanoic acid;N-2-Pyridinyl-Beta-alanine;3-(Pyridin-2-ylamino)propanoicacid;3-(2-Pyridinylamino)propionic Acid;N-pyridyl-beta-alanine;CHEMBL21257;SCHEMBL243759;beta-Alanine, N-2-pyridinyl-;DTXSID00475153;IDWUSJOEYZAKSW-UHFFFAOYSA-N;38P56V4DL8;3-(2-Pyridinylamino)propanoic acid;MFCD00956251;AKOS000166709;AS-38271;3-[N-(2-pyridinyl)-amino]propanoic acid;LS-192485;AM20050630;CS-0447950;FT-0674215;EN300-39331;J-001297;Z285820166

Chemical Property of 3-(pyridin-2-ylamino)propanoic Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 139℃
• Boiling Point: 389.434oC at 760 mmHg
• PKA: 4.21±0.10(Predicted)
• Flash Point: 189.323oC
• PSA: 62.22000
• Density: 1.281g/cm3
• LogP: 1.04120
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: Methanol
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

99.90% ^*data from raw suppliers

N-2-Pyridinyl-β-alanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=NC(=C1)NCCC(=O)O
• Uses: Used in the preparation of Dabigatran etexilate derivatives. Acid form of E925620. 3-(pyridin-2-ylamino)propanoic acid can be used in the preparation of Dabigatran etexilate derivatives.

Technology Process of 3-(pyridin-2-ylamino)propanoic Acid

There total 8 articles about 3-(pyridin-2-ylamino)propanoic Acid 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: 88.0%

methyl ester of N-(2-pyridyl)-β-alanine (55364-85-7) → 3-[(pyridin-2-yl)amino]propanoic acid (104961-64-0)

Guidance literature:

With sodium hydroxide; In ethanol; Heating;

DOI:10.1007/BF00529483

Reference yield: 88.0%

2-aminopyridine (504-29-0) + acrylic acid (79-10-7) → 3-[(pyridin-2-yl)amino]propanoic acid (104961-64-0)

Guidance literature:

In toluene; for 1h; Heating;

DOI:10.1007/BF00529483

Reference yield: 57.0%

2-aminopyridine (504-29-0) + acrylic acid n-butyl ester (141-32-2,9003-49-0) → 3-[(pyridin-2-yl)amino]propanoic acid (104961-64-0)

Guidance literature:

2-aminopyridine; acrylic acid n-butyl ester; With acetic acid; potassium hydroxide; at 70 ℃;

With water; potassium hydroxide; at 25 ℃;

upstream raw materials:

methyl ester of N-(2-pyridyl)-β-alanine

3-(pyridin-2-ylamino)propanenitrile

2-aminopyridine

acrylic acid

Downstream raw materials:

3-(pyridin-2-ylamino)propan-1-ol

2-chloromethyl-1-methyl-1H-benzimidazole-5 ethyl acetate

2,3-dihydro-1,8-naphthyridin-4(1H)-one

N-[2]pyridyl-β-alanine amide