3-(3,3-Difluoro-cyclobuty...

Base Information

• Chemical Name: 3-(3,3-Difluoro-cyclobuty...
• CAS No.: 1234616-26-2
• Molecular Formula: C₇H₇F₂NO
• Molecular Weight: 159.135
• Hs Code.: 2926909090
• Mol file: 1234616-26-2.mol

Synonyms:3-(3,3-Difluoro-cyclobuty...;3-(3,3-Difluoro-cyclobutyl)-3-oxo-propionitrile;3-(3,3-difluorocyclobutyl)-3-oxopropanenitrile

Chemical Property of 3-(3,3-Difluoro-cyclobuty...

Chemical Property:

• Boiling Point: 213.0±40.0 °C(Predicted)
• PKA: 9.20±0.40(Predicted)
• PSA: 40.86000
• Density: 1.24±0.1 g/cm3(Predicted)
• LogP: 1.51448

Purity/Quality:

99%, ^*data from raw suppliers

3-(3,3-Difluoro-cyclobutyl)-3-oxo-propionitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(3,3-Difluoro-cyclobuty...

There total 4 articles about 3-(3,3-Difluoro-cyclobuty... 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:

methyl 3,3-difluorocyclobutane-1-carboxylate (1234616-13-7) + acetonitrile (75-05-8,26809-02-9) → 3-(3,3-difluorocyclobutyl)-3-oxopropanenitrile (1234616-26-2)

Guidance literature:

With sodium hydride; In tetrahydrofuran; acetonitrile; at 65 ℃; for 12h;

Reference yield:

4-methoxybenzyl 3,3-difluorocyclobutanecarboxylate (1425931-94-7) + acetonitrile (75-05-8,26809-02-9) → 3-(3,3-difluorocyclobutyl)-3-oxopropanenitrile (1234616-26-2)

Guidance literature:

acetonitrile; With sodium hydride; In 1,4-dioxane; for 0.333333h;

4-methoxybenzyl 3,3-difluorocyclobutanecarboxylate; In 1,4-dioxane; for 4h; Reflux;

Reference yield:

4-methoxybenzyl 3-oxocyclobutanecarboxylate (1425931-93-6) → 3-(3,3-difluorocyclobutyl)-3-oxopropanenitrile (1234616-26-2)

Guidance literature:

Multi-step reaction with 2 steps

1.1: DAST / dichloromethane / 20 °C

2.1: sodium hydride / 1,4-dioxane / 0.33 h

2.2: 4 h / Reflux

With sodium hydride; In 1,4-dioxane; dichloromethane;

upstream raw materials:

4-methoxybenzyl 3,3-difluorocyclobutanecarboxylate

acetonitrile

4-methoxybenzyl 3-oxocyclobutanecarboxylate

3-oxocyclobutanecarboxylic acid

Downstream raw materials:

5-(3,3-difluorocyclobutyl)-1H-pyrazol-3-amine

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