(S)-3-(Benzoyloxy)quinuclidine

Base Information

• Chemical Name: (S)-3-(Benzoyloxy)quinuclidine
• CAS No.: 221671-41-6
• Molecular Formula: C14H17NO2
• Molecular Weight: 231.294
• Mol file: 221671-41-6.mol

Synonyms:(S)-quinuclidin benzoate;(S)-quinuclidin-3-yl benzoate;(S)-3-(Benzoyloxy)quinuclidine;

Chemical Property of (S)-3-(Benzoyloxy)quinuclidine

Chemical Property:

• PSA: 29.54000
• LogP: 1.87550

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (S)-3-(Benzoyloxy)quinuclidine

There total 1 articles about (S)-3-(Benzoyloxy)quinuclidine 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:

benzoic acid anhydride (93-97-0) + (S)-quinuclidin-3-ol (3684-26-2,25333-42-0,34583-34-1,1619-34-7) → (S)-quinuclidin-3-yl benzoate (221671-41-6)

Guidance literature:

at 130 ℃; for 1h;

DOI:10.1002/poc.494

Reference yield:

(S)-quinuclidin-3-yl benzoate (221671-41-6) → benzoic acid (65-85-0,8013-63-6) + (S)-quinuclidin-3-ol (3684-26-2,25333-42-0,34583-34-1,1619-34-7)

Guidance literature:

With horse serum butyrylcholinesterase; water; In phosphate buffer; at 30 ℃; pH=7.4; Enzyme kinetics;

DOI:10.1002/poc.494

Reference yield:

2-oxo-4-phenylpyrrolidine-3-carboxylic acid (77519-55-2) + (S)-quinuclidin-3-yl benzoate (221671-41-6) → 3-(S)-benzoyloxyquinuclidine 3-carboxy-4-(R)-phenylpyrrolidine-2-one salt

Guidance literature:

In ethanol; at 60 ℃; for 0.333333h; Solvent;

upstream raw materials:

benzoic acid anhydride

(S)-quinuclidin-3-ol

Downstream raw materials:

benzoic acid

(S)-quinuclidin-3-ol

Refernces

• 1、 Primozic, Ines,Hrenar, Tomica,Tomic, Srdanka,Meic, Zlatko. "Interactions of chiral quinuclidin-3-yl benzoates with butyrylcholinesterase: Kinetic study and docking simulations". . p. 608 - 614. Retrieved 2007/10/03.