3-(4-Pyridyl)-L-alanine

Base Information

• Chemical Name: 3-(4-Pyridyl)-L-alanine
• CAS No.: 37535-49-2
• Molecular Formula: C8H10N2O2
• Molecular Weight: 166.18
• Hs Code.: 2933399090
• European Community (EC) Number: 845-991-8
• UNII: X1XF0A3CPO
• DSSTox Substance ID: DTXSID60958619
• Nikkaji Number: J1.018.602A
• ChEMBL ID: CHEMBL4249170
• Mol file: 37535-49-2.mol

Synonyms:37535-49-2;L-4-PYRIDYLALANINE;3-(4-Pyridyl)-L-alanine;(S)-2-Amino-3-(pyridin-4-yl)propanoic acid;H-4-Pal-OH;(2S)-2-amino-3-(pyridin-4-yl)propanoic acid;4-Pyridylalanine, L-;(2S)-2-amino-3-pyridin-4-ylpropanoic acid;X1XF0A3CPO;(2S)-2-azaniumyl-3-pyridin-4-ylpropanoate;3-(4-Pyridyl)-alanine;CHEMBL4249170;L-3-(4-pyridyl)-alanine;4'-Pyridyl-L-Ala;3-Pyridin-4-ylalanine;H-Ala(4-Pyri)-OH;UNII-X1XF0A3CPO;beta-(4-pyridyl)-alanine;3-pyridin-4-yl-L-alanine;L-3-(4-Pyridyl) Alanine;beta-(4-Pyridyl)-L-alanine;SCHEMBL122533;DTXSID60958619;FQFVANSXYKWQOT-ZETCQYMHSA-N;BDBM50463209;MFCD01860883;AKOS005137939;AC-9961;CS-W017864;HY-W017148;PS-3753;.BETA.-(4-PYRIDYL)-L-ALANINE;PD197063;3-(4-Pyridyl)-L-alanine, >=98.0%;EN300-77287;A50242;4-Pyridinepropanoic acid, alpha-amino-, (alphaS)-;4-PYRIDINEPROPANOIC ACID, .ALPHA.-AMINO-, (.ALPHA.S)-;4-Pyridinepropanoicacid,a-amino-,dihydrochloride,(as)-(9ci);4-Pyridinepropanoicacid, a-amino-, dihydrochloride, (aS)- (9CI)

Chemical Property of 3-(4-Pyridyl)-L-alanine

Chemical Property:

• Melting Point: 260-262 °C
• Refractive Index: 1.603
• Boiling Point: 346.4 °C at 760 mmHg
• PKA: 1.95±0.10(Predicted)
• Flash Point: 163.3 °C
• PSA: 76.21000
• Density: 1.271 g/cm³
• LogP: 0.73630
• Storage Temp.: Store at 0-5°C
• 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:

98%,99%, ^*data from raw suppliers

3-(4-Pyridyl)-L-alanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC=C1CC(C(=O)O)N
• Isomeric SMILES: C1=CN=CC=C1C[C@@H](C(=O)O)N
• Uses: 3-(4-Pyridyl)-L-alanine is a derivative of L-alanine (A481500), a non-essential amino acid that can be found naturally in the human body and is obtained by our diet.

Technology Process of 3-(4-Pyridyl)-L-alanine

There total 3 articles about 3-(4-Pyridyl)-L-alanine 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:

→ 2-Amino-3-(pyridin-4-yl)-1-propanol (348619-90-9) + (S)-2-amino-3-(pyridin-4-yl)propanoic acid (37535-49-2)

Guidance literature:

Reference yield:

d-methyl 2-acetamido-3-(4-pyridyl)propanoate (131905-74-3,138808-56-7) → (S)-2-amino-3-(pyridin-4-yl)propanoic acid (37535-49-2) + 3-(4-pyridyl)-D-alanine (37535-50-5)

Guidance literature:

With hydrogenchloride; for 3h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;

DOI:10.1021/jo00007a060

Reference yield:

l-methyl 2-acetamido-3-(4-pyridyl)propanoate (131905-73-2,138808-56-7) → (S)-2-amino-3-(pyridin-4-yl)propanoic acid (37535-49-2) + 3-(4-pyridyl)-D-alanine (37535-50-5)

Guidance literature:

With hydrogenchloride; for 3h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; Heating;

DOI:10.1021/jo00007a060

upstream raw materials:

d-methyl 2-acetamido-3-(4-pyridyl)propanoate

l-methyl 2-acetamido-3-(4-pyridyl)propanoate

Downstream raw materials:

(S)-2-((tert-butoxycarbonyl)amino)-3-(pyridin-4-yl)propanoic acid

(S)-N-(9-fluorenylmethoxycarbonyl)-β-(4-pyridyl)alanine

2-amino-3-(4-pyridinyl) propionic acid

(2S)-2-amino-3-(piperidin-4-yl)propanoic acid

Refernces

• 1、 Bozell, Joseph J.,Vogt, C. E.,Gozum, J.. "Transition-Metal-Assisted Asymmetric Synthesis of Amino Acid Analogues. A New Synthesis of Optically Pure D- and L-Pyridylalanines". . p. 2584 - 2587. Retrieved 2007/10/02.