2-Hydroxy-2-phosphono-3-(pyridin-3-yl)propanoic acid

Base Information

• Chemical Name: 2-Hydroxy-2-phosphono-3-(pyridin-3-yl)propanoic acid
• CAS No.: 152831-36-2
• Molecular Formula: C₈H₁₀NO₆P
• Molecular Weight: 247.144
• UNII: NR6E47E4WN
• DSSTox Substance ID: DTXSID001249251
• Nikkaji Number: J1.657.112A
• Wikidata: Q27087880
• Pharos Ligand ID: MKZ4H8HCVGNK
• ChEMBL ID: CHEMBL397829
• Mol file: 152831-36-2.mol

Synonyms:2-(3-pyridinyl)-1-hydroxyethylidene-1,1-phosphonocarboxylic acid;3-PEHPC;NE 10790;NE-10790;NE10790

Chemical Property of 2-Hydroxy-2-phosphono-3-(pyridin-3-yl)propanoic acid

Chemical Property:

• XLogP3: -1.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 247.02457404
• Heavy Atom Count: 16
• Complexity: 316

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-2-phosphono-3-(pyridin-3-yl)propanoic acid

There total 2 articles about 2-Hydroxy-2-phosphono-3-(pyridin-3-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:

2-hydroxy-2-phosphono-3-pyridin-3-yl-propionic acid ethyl ester → NE-10790 (152831-36-2)

Guidance literature:

With hydrogenchloride; In water; Heating;

Reference yield:

ethyl 2-oxo-3-(pyridin-3-yl)propanoate → NE-10790 (152831-36-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 78 percent / 18 h / 70 °C

2: HCl / H₂O / Heating

With hydrogenchloride; In water; 1: Addition / 2: Hydrolysis;

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