3-Pyrrolidinecarbonitrile, 2-Oxo

Base Information

• Chemical Name: 3-Pyrrolidinecarbonitrile, 2-Oxo
• CAS No.: 89322-69-0
• Molecular Formula: C₅H₆N₂O
• Molecular Weight: 110.115
• Hs Code.: 2933790090
• Mol file: 89322-69-0.mol

Synonyms:2-oxo-3-pyrrolidinecarbonitrile;3-Pyrrolidinecarbonitrile,2-oxo;2-oxo-pyrrolidine-3-carbonitrile;

Chemical Property of 3-Pyrrolidinecarbonitrile, 2-Oxo

Chemical Property:

• Melting Point: 78-79 °C(Solv: acetone (67-64-1))
• Boiling Point: 407.5±38.0 °C(Predicted)
• PKA: 18.62±0.40(Predicted)
• PSA: 56.38000
• Density: 1.19±0.1 g/cm3(Predicted)
• LogP: -0.07802

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 3-Pyrrolidinecarbonitrile, 2-Oxo

There total 3 articles about 3-Pyrrolidinecarbonitrile, 2-Oxo 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: 45.0%

ethyl 3-cyano-2-oxo-1-pyrrolidinecarboxylate (153929-20-5) → 2-oxo-3-pyrrolidinecarbonitrile (89322-69-0)

Guidance literature:

With acetic acid; sodium iodide; In N,N-dimethyl-formamide; at 140 ℃; for 1h;

Reference yield:

ethyl 2-amino-3-cyano-4,5-dihydro-1H-pyrrole-1-carboxylate (83361-93-7) → 2-oxo-3-pyrrolidinecarbonitrile (89322-69-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / 5percent HCl / 1 h / 60 °C

2: 45 percent / NaI, acetic acid / dimethylformamide / 1 h / 140 °C

With hydrogenchloride; acetic acid; sodium iodide; In N,N-dimethyl-formamide;

Reference yield:

→ 2-oxo-3-pyrrolidinecarbonitrile (89322-69-0)

Guidance literature:

entspr. 3-Brom-Verb., NaCN, sd. A. (20h);

upstream raw materials:

ethyl 3-cyano-2-oxo-1-pyrrolidinecarboxylate

ethyl 2-amino-3-cyano-4,5-dihydro-1H-pyrrole-1-carboxylate