3-(2-Oxopyrrolidin-1-yl)propanoic acid

Base Information

• Chemical Name: 3-(2-Oxopyrrolidin-1-yl)propanoic acid
• CAS No.: 77191-38-9
• Molecular Formula: C7H11 N O3
• Molecular Weight: 157.17
• Hs Code.: 2933790090
• European Community (EC) Number: 696-390-0
• DSSTox Substance ID: DTXSID70998445
• Nikkaji Number: J458.707C
• Mol file: 77191-38-9.mol

Synonyms:2-oxo-1-pyrrolidinepropanoic acid;2-oxo-1-pyrrolidinepropionic acid

Chemical Property of 3-(2-Oxopyrrolidin-1-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 2.28E-06mmHg at 25°C
• Boiling Point: 366.3°C at 760 mmHg
• PKA: 4.36±0.10(Predicted)
• Flash Point: 175.4°C
• PSA: 57.61000
• Density: 1.277g/cm³
• LogP: 0.02140
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 157.07389321
• Heavy Atom Count: 11
• Complexity: 179

Purity/Quality:

98%min ^*data from raw suppliers

3-(2-oxopyrrolidin-1-yl)propanoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1)CCC(=O)O
• Uses: 3-(2-Oxopyrrolidin-1-yl)propanoic Acid can be prepared to be used as RORy agonists to treat cancer.

Technology Process of 3-(2-Oxopyrrolidin-1-yl)propanoic acid

There total 9 articles about 3-(2-Oxopyrrolidin-1-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: 49.0%

3-(2-oxopyrrolidin-1-yl)propanenitrile (7663-76-5) → 3-(2-oxopyrrolidin-1-yl)propionic acid (77191-38-9)

Guidance literature:

3-(2-oxopyrrolidin-1-yl)propanenitrile; With sodium hydroxide; water; In 1,4-dioxane; for 5h; Heating / reflux;

With hydrogenchloride; In 1,4-dioxane; water;

Reference yield:

N-carboxyethyl-γ-aminobutyric acid (4386-03-2) → 3-(2-oxopyrrolidin-1-yl)propionic acid (77191-38-9)

Guidance literature:

at 160 - 165 ℃;

DOI:10.1016/S0040-4039(01)02099-8 DOI:10.1016/S0040-4039(01)02190-6

Reference yield:

methyl 3-(2'-oxo-1'-pyrrolidinyl)propanoate (24299-77-2) → 3-(2-oxopyrrolidin-1-yl)propionic acid (77191-38-9)

Guidance literature:

With sodium hydroxide; water;

upstream raw materials:

methyl 3-(2'-oxo-1'-pyrrolidinyl)propanoate

N-carboxyethyl-γ-aminobutyric acid

3-(2-oxopiperidin-1-yl)propionic acid

4-[bis-(2-ethoxycarbonyl-ethyl)-amino]-butyric acid ethyl ester

Downstream raw materials:

(S)-N-(4-(1-(2,4-difluorophenyl)ethylamino)-6-(pyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-2-yl)-3-(2-oxopyrrolidin-1-yl)propanamide

3-(2,6-dichloro-phenyl)-5-[2-(2-oxo-pyrrolidin-1-yl)-ethyl]-isoxazole-4-carboxylic acid ethyl ester

3-(2,6-dichloro-phenyl)-5-[2-(2-oxo-pyrrolidin-1-yl)-ethyl]-isoxazole-4-carboxylic acid

Refernces

• 1、 -. "Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same". Page/Page column 22-23. . Retrieved 2008/06/13.