3-Oxo-2-quinuclidinecarboxylic acid ethyl ester

Base Information

• Chemical Name: 3-Oxo-2-quinuclidinecarboxylic acid ethyl ester
• CAS No.: 34286-16-3
• Molecular Formula: C10H15NO3
• Molecular Weight: 197.234
• Hs Code.: 2933990090
• Mol file: 34286-16-3.mol

Synonyms:Ethyl-3-ketochinuclidin-2-carboxylat;3-oxo-quinuclidine-2-carboxylic acid ethyl ester;3-Oxo-chinuclidin-2-carbonsaeure-aethylester;2-Ethoxycarbonyl-3-oxoquinuclidine;Ethyl 3-oxoquinuclidine-2-carboxylate;3-Chinuclidon-2-carbonsaeure-ethylester;2-carboethoxy-3-ketoquinuclidine;

Chemical Property of 3-Oxo-2-quinuclidinecarboxylic acid ethyl ester

Chemical Property:

• Melting Point: 109-110 °C
• Boiling Point: 98-103 °C(Press: 0.02 Torr)
• PKA: 16.31±0.20(Predicted)
• PSA: 46.61000
• Density: 1.19±0.1 g/cm3(Predicted)
• LogP: 0.15070

Purity/Quality:

98% ^*data from raw suppliers

Ethyl3-oxoquinuclidine-2-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Oxo-2-quinuclidinecarboxylic acid ethyl ester

There total 3 articles about 3-Oxo-2-quinuclidinecarboxylic acid ethyl ester 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: 82.0%

C17H29NO6 → 2-ethoxycarbonyl-3-quinuclidinone (34286-16-3)

Guidance literature:

With potassium tert-butylate; In toluene; at 100 ℃;

Reference yield:

ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate (1838-39-7) → 2-ethoxycarbonyl-3-quinuclidinone (34286-16-3)

Guidance literature:

With potassium ethoxide; toluene;

Reference yield:

→ 2-ethoxycarbonyl-3-quinuclidinone (34286-16-3)

Guidance literature:

N-(EtO2C-CH2)-4-(CO2Et)-Piperidin, 1.) KOEt-Lsg. (unter N2), 2.) wss. ethanol. Lsg., konz. HCl (<30grad) (Zerstoerung d. K-Salzes);

DOI:10.1002/hlca.19630460723

upstream raw materials:

ethyl N-ethoxycarbonylmethyl-4-piperidinecarboxylate

Downstream raw materials:

(S)-quinuclidin-3-ol

(R)-quinuclidin-3-ol

3-acetoxyquinuclidine

3-quinuclidinol

Refernces

• 1、 -. "Preparation method of optical activity 3-quinuclidinol". Paragraph 0011; 0012. . Retrieved 2018/04/03.