2-Amino-3-(pyridin-4-YL)propanoic acid

Base Information

• Chemical Name: 2-Amino-3-(pyridin-4-YL)propanoic acid
• CAS No.: 1956-21-4
• Molecular Formula: C₈H₁₀N₂O₂
• Molecular Weight: 166.18
• Hs Code.: 2933399090
• European Community (EC) Number: 822-604-0
• UNII: AY9J934TFO
• DSSTox Substance ID: DTXSID30902563
• Mol file: 1956-21-4.mol

Synonyms:1956-21-4;3-(4-Pyridyl)-dl-alanine;2-AMINO-3-(PYRIDIN-4-YL)PROPANOIC ACID;2-amino-3-pyridin-4-ylpropanoic acid;4-Pyridylalanine, DL-;4-Pyridinealanine, DL-;AY9J934TFO;4-PYRIDINEALANINE;NoName_3085;UNII-AY9J934TFO;2-AMINO-3-PYRIDIN-4-YL-PROPIONIC ACID;SCHEMBL122532;beta-(4-Pyridyl)-DL-alanine;DTXSID30902563;BAA95621;MFCD05228021;AKOS000175093;AKOS016843222;4-Pyridinepropanoic acid, alpha-amino-;AB21677;.BETA.-(4-PYRIDYL)-DL-ALANINE;AS-35682;CS-0038773;FT-0639383;FT-0639384;FT-0692262;EN300-148181;4-ANDROSTEN-6-ALPHA,17-BETA-DIOL-3-ONE;4-PYRIDINEPROPANOIC ACID, .ALPHA.-AMINO-;3-[(CYCLOPROPYLAMINO)SULFONYL]THIOPHENE-2-CARBOXYLICACID

Chemical Property of 2-Amino-3-(pyridin-4-YL)propanoic acid

Chemical Property:

• Vapor Pressure: 2.18E-05mmHg at 25°C
• Melting Point: 234-235 °C
• Refractive Index: 1.581
• Boiling Point: 346.4 °C at 760 mmHg
• Flash Point: 163.3 °C
• PSA: 76.21000
• Density: 1.271 g/cm³
• LogP: 0.73630
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Pyridyl)-DL-alanine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1CC(C(=O)O)N

Technology Process of 2-Amino-3-(pyridin-4-YL)propanoic acid

There total 14 articles about 2-Amino-3-(pyridin-4-YL)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: 100.0%

N-acetyl-4 pyridylalanine (111759-54-7) → 2-amino-3-(4-pyridinyl) propionic acid (1956-21-4)

Guidance literature:

With hydrogenchloride; water; for 3h; Reflux;

DOI:10.1007/s00726-010-0829-3

Reference yield: 84.0%

ethyl 3-(4-pyridinyl)-2-hydroxyimino propionate (1353886-58-4) → 2-amino-3-(4-pyridinyl) propionic acid (1956-21-4)

Guidance literature:

With sodium tetrahydroborate; water; nickel; sodium hydroxide; In methanol; at 20 - 30 ℃; chemoselective reaction;

DOI:10.1039/c1ob06471a

Reference yield:

4-bromomethyl pyridine hydrobromide (73870-24-3,1119106-77-2) → 2-amino-3-(4-pyridinyl) propionic acid (1956-21-4)

Guidance literature:

Multi-step reaction with 2 steps

1: toluene

2: aqueous HBr

With hydrogen bromide; toluene;

DOI:10.1021/ja01259a059

upstream raw materials:

diethyl 2-(acetylamino)-2-(4-pyridinylmethyl)-malonate

picoline

4-picolylchloride hydrochloride

4-bromomethyl pyridine hydrobromide

Downstream raw materials:

2-benzoylamino-3-[4]pyridyl-propionic acid

2-(4-Chloro-benzylamino)-3-pyridin-4-yl-propionic acid

rac-2-Decarboxybetalaminsaeure-imin

C₂₄H₂₂N₂O₄