(S)-1-Acetyl-2-(3-pyridinyl)pyrrolidine

Base Information

• Chemical Name: (S)-1-Acetyl-2-(3-pyridinyl)pyrrolidine
• CAS No.: 5979-94-2
• Molecular Formula: C₁₁H₁₄N₂O
• Molecular Weight: 190.245
• European Community (EC) Number: 881-768-1
• UNII: 7BX6E0YC1A
• DSSTox Substance ID: DTXSID80975202
• Wikidata: Q82959717
• Mol file: 5979-94-2.mol

Synonyms:N-Acetylnornicotine;5979-94-2;Acetylnornicotine;(S)-1-Acetyl-2-(3-pyridinyl)pyrrolidine;1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone;7BX6E0YC1A;Pyrrolidine, 1-acetyl-2-(3-pyridinyl)-, (S)-;(S)-1-(2-(Pyridin-3-yl)pyrrolidin-1-yl)ethanone;Pyrrolidine, 1-acetyl-2-(3-pyridyl)-;1-[(2S)-2-(pyridin-3-yl)pyrrolidin-1-yl]ethan-1-one;1-[2-(Pyridin-3-yl)pyrrolidin-1-yl]ethan-1-one;UNII-7BX6E0YC1A;N'-ACETYLNORNICOTINE;Pyrrolidine, 1-acetyl-2-(3-pyridinyl)-, (S)- (9CI);DTXSID80975202;MFCD01688306;LS-137161;EN300-358936;PYRROLIDINE, 1-ACETYL-2-(3-PYRIDINYL)-, (2S)-

Chemical Property of (S)-1-Acetyl-2-(3-pyridinyl)pyrrolidine

Chemical Property:

• Vapor Pressure: 1.63E-05mmHg at 25°C
• Boiling Point: 364.9°C at 760 mmHg
• Flash Point: 174.5°C
• PSA: 33.20000
• Density: 1.129g/cm³
• LogP: 1.70290
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.110613074
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

98% ^*data from raw suppliers

(S)-1-(2-(pyridin-3-yl)pyrrolidin-1-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)N1CCCC1C2=CN=CC=C2
• Isomeric SMILES: CC(=O)N1CCC[C@H]1C2=CN=CC=C2

Technology Process of (S)-1-Acetyl-2-(3-pyridinyl)pyrrolidine

There total 2 articles about (S)-1-Acetyl-2-(3-pyridinyl)pyrrolidine 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:

acetic anhydride (108-24-7) + nornicotine (494-97-3,13450-58-3) → N-acetylnornicotine (5979-94-2)

Guidance literature:

DOI:10.1021/ja01540a031

Reference yield:

acetic anhydride (108-24-7) → N-acetylnornicotine (5979-94-2)

Guidance literature:

Behandeln auf dem Wasserbad;

upstream raw materials:

acetic anhydride

nornicotine