5-Oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid

Base Information

• Chemical Name: 5-Oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid
• CAS No.: 304859-15-2
• Molecular Formula: C₁₁H₁₂N₂O₃
• Molecular Weight: 220.228
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80390133
• Mol file: 304859-15-2.mol

Synonyms:304859-15-2;5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid;5-OXO-1-(4-PYRIDINYLMETHYL)-3-PYRROLIDINECARBOXYLIC ACID;5-Oxo-1-pyridin-4-ylmethyl-pyrrolidine-3-carboxylic acid;SCHEMBL7462557;5-oxo-1-(4-pyridylmethyl)-3-pyrrolidinecarboxylic acid;DTXSID80390133;3-Pyrrolidinecarboxylic acid, 5-oxo-1-(4-pyridinylmethyl)-;HMS1696I11;BBL030546;MFCD06589808;STK507034;AKOS000322073;AKOS016340859;AS-46890;BB 0217838;CS-0116606;FT-0698199;F10837;A876174;AO-365/43275040;SR-01000325018;SR-01000325018-1;5-Oxo-1-(4-pyridinylmethyl)-3-pyrrolidine carboxylic acid;5-Oxo-1-[(pyridin-4-yl)methyl]pyrrolidine-3-carboxylic acid;5-oxo-1-pyridin-4-ylmethyl-pyrrolidine-3-carboxylic acid, AldrichCPR

Chemical Property of 5-Oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.92E-11mmHg at 25°C
• Boiling Point: 515.3°C at 760 mmHg
• Flash Point: 265.4°C
• PSA: 70.50000
• Density: 1.375g/cm³
• LogP: 0.45260
• Storage Temp.: 2-8°C
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 220.08479225
• Heavy Atom Count: 16
• Complexity: 287

Purity/Quality:

97% ^*data from raw suppliers

5-Oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CN(C1=O)CC2=CC=NC=C2)C(=O)O

Technology Process of 5-Oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic acid

There total 1 articles about 5-Oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxylic 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: 15.0%

4-(aminomethyl)pyridine (3731-53-1) + 2-methylenesuccinic acid (97-65-4,25119-64-6) → 5-oxo-1-(4-pyridylmethyl)-3-pyrrolidinecarboxylic acid (304859-15-2)

Guidance literature:

DOI:10.1248/cpb.52.63

Reference yield: 63.0%

oxalyl dichloride (79-37-8) + 5-oxo-1-(4-pyridylmethyl)-3-pyrrolidinecarboxylic acid (304859-15-2) + N-[3-(4-Benzyl-1-piperidinyl)propyl]aniline dihydrochloride → N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(pyridin-4-yl-methyl)pyrrolidine-3-carboxamide

Guidance literature:

oxalyl dichloride; 5-oxo-1-(4-pyridylmethyl)-3-pyrrolidinecarboxylic acid;

N-[3-(4-Benzyl-1-piperidinyl)propyl]aniline dihydrochloride; With triethylamine;

Reference yield:

5-oxo-1-(4-pyridylmethyl)-3-pyrrolidinecarboxylic acid (304859-15-2) → N-[3-(4-benzylpiperidin-1-yl)propyl]-5-oxo-N-phenyl-1-(pyridin-4-yl-methyl)pyrrolidine-3-carboxamide

Guidance literature:

Multi-step reaction with 2 steps

1: (COCl)2; DMF / CH₂Cl₂ / 0 - 20 °C

2: Et₃N / CH₂Cl₂ / -20 - 0 °C

With oxalyl dichloride; triethylamine; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1248/cpb.52.63

upstream raw materials:

4-(aminomethyl)pyridine

2-methylenesuccinic acid