4-FLUORO-1-(1,1-DIMETHYLETHYL)1,4-PIPERIDINEDICARBOXYLIC ACID-4-ETHYL ESTER

Base Information

• Chemical Name: 4-FLUORO-1-(1,1-DIMETHYLETHYL)1,4-PIPERIDINEDICARBOXYLIC ACID-4-ETHYL ESTER
• CAS No.: 416852-82-9
• Molecular Formula: C₁₃H₂₂FNO₄
• Molecular Weight: 275.32
• Mol file: 416852-82-9.mol

Synonyms:4-Fluoro-1-(1,1-dimethylethyl)1,4-piperidinedicarboxylic acid-4-ethyl ester;

Chemical Property of 4-FLUORO-1-(1,1-DIMETHYLETHYL)1,4-PIPERIDINEDICARBOXYLIC ACID-4-ETHYL ESTER

Chemical Property:

• Vapor Pressure: 0.000349mmHg at 25°C
• Refractive Index: 1.469
• Boiling Point: 319 °C at 760 mmHg
• PKA: -3.94±0.40(Predicted)
• Flash Point: 146.7 °C
• PSA: 55.84000
• Density: 1.13 g/cm³
• LogP: 2.22660

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyln-boc-4-fluoropiperidine-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-FLUORO-1-(1,1-DIMETHYLETHYL)1,4-PIPERIDINEDICARBOXYLIC ACID-4-ETHYL ESTER

There total 2 articles about 4-FLUORO-1-(1,1-DIMETHYLETHYL)1,4-PIPERIDINEDICARBOXYLIC ACID-4-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: 87.0%

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate (142851-03-4) → 4-fluoropiperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester (416852-82-9)

Guidance literature:

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate; With lithium diisopropyl amide; In tetrahydrofuran; n-heptane; ethylbenzene; at 0 ℃; for 1.5h;

With N-fluorobis(benzenesulfon)imide; In tetrahydrofuran; n-heptane; ethylbenzene; at 0 - 20 ℃; for 18.5h;

Reference yield:

→ 4-fluoropiperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester (416852-82-9)

Guidance literature:

With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 - 0 ℃; for 1.16667h; Inert atmosphere;

With N-fluorobis(benzenesulfon)imide; In tetrahydrofuran; hexane; at -78 ℃; for 17.0833h;

Reference yield: 100.0%

4-fluoropiperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester (416852-82-9) → C11H17FNO4(1-)*Li(1+) (618900-67-7)

Guidance literature:

With lithium hydroxide; water; In tetrahydrofuran; methanol; at 45 ℃; for 6h;

upstream raw materials:

1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate

Downstream raw materials:

4-carbamoyl-4-fluoro-piperidine-1-carboxylic acid tert-butyl ester

4-fluoro-piperidine-4-carboxylicacid ethyl ester

C₁₁H₁₇FNO₄^(1-)*Li⁽¹⁺⁾

4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES". Page/Page column 124; 126. . Retrieved 2018/04/20.
• 2、 -. "SUBSTITUTED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXYLIC ACIDS AND METHOD OF USE". Paragraph 1648; 1649. . Retrieved 2017/05/14.