3-CYCLOPENTYL-3-OXO-PROPIONITRILE

Base Information

• Chemical Name: 3-CYCLOPENTYL-3-OXO-PROPIONITRILE
• CAS No.: 95882-33-0
• Molecular Formula: C8H11NO
• Molecular Weight: 137.181
• Hs Code.: 2926909090
• Mol file: 95882-33-0.mol

Synonyms:3-Cyclopentyl-3-oxopropanenitrile;3-Cyclopentyl-3-oxopropionitrile;b-Oxocyclopentanepropanenitrile;

Chemical Property of 3-CYCLOPENTYL-3-OXO-PROPIONITRILE

Chemical Property:

• Boiling Point: 229.5 °C at 760 mmHg
• PKA: 9.77±0.20(Predicted)
• Flash Point: 92.6 °C
• PSA: 40.86000
• Density: 1.056 g/cm³
• LogP: 1.65938

Purity/Quality:

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

3-Cyclopentyl-3-oxopropanenitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-CYCLOPENTYL-3-OXO-PROPIONITRILE

There total 5 articles about 3-CYCLOPENTYL-3-OXO-PROPIONITRILE 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: 100.0%

ethyl cyclopentanecarboxylate (5453-85-0) + acetonitrile (75-05-8,26809-02-9) → 3-cyclopentyl-3-oxopropanenitrile (95882-33-0)

Guidance literature:

acetonitrile; With sodium hydride; In 1,4-dioxane; at 20 ℃; for 0.5h;

ethyl cyclopentanecarboxylate; In 1,4-dioxane; at 20 - 105 ℃; for 16.5h;

Reference yield: 94.4%

methyl cyclopentane carboxylate (4630-80-2) + acetonitrile (75-05-8,26809-02-9) → 3-cyclopentyl-3-oxopropanenitrile (95882-33-0)

Guidance literature:

acetonitrile; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1.58333h; Inert atmosphere;

methyl cyclopentane carboxylate; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 2.66667h;

Reference yield: 86.0%

→ 3-cyclopentyl-3-oxopropanenitrile (95882-33-0)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h;

In tetrahydrofuran; hexane; at -78 ℃; for 1h;

upstream raw materials:

methyl cyclopentane carboxylate

acetonitrile

ethyl cyclopentanecarboxylate

cyclopentanecarboxylic acid

Downstream raw materials:

5-amino-3-cyclopentyl-1-methylpyrazole

5-cyclopentyl-2H-pyrazol-3-ylamine

[3-(5-amino-3-cyclopentylpyrazol-1-yl)phenyl]acetic acid ethyl ester hydrochloride

6-(5-amino-3-cyclopentyl-1H-pyrazol-1-yl)-3,4-dihydroquinolin-2(1H)-one

Refernces

• 1、 -. "MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN". Paragraph 00124. . Retrieved 2020/09/08.
• 2、 -. "PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED JAK INHIBITORS". Paragraph 205-206. . Retrieved 2020/08/22.