3,3-DIFLUORO-CYCLOBUTANECARBONITRILE

Base Information

• Chemical Name: 3,3-DIFLUORO-CYCLOBUTANECARBONITRILE
• CAS No.: 86770-80-1
• Molecular Formula: C5H5 F2 N
• Molecular Weight: 117.098
• Hs Code.: 2926909090
• Mol file: 86770-80-1.mol

Synonyms:3,3-Difluorocyclobutanecarbonitrile

Chemical Property of 3,3-DIFLUORO-CYCLOBUTANECARBONITRILE

Chemical Property:

• Boiling Point: 160.5±40.0 °C(Predicted)
• PSA: 23.79000
• Density: 1.19±0.1 g/cm3(Predicted)
• LogP: 1.55528
• Storage Temp.: 2-8°C

Purity/Quality:

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

3,3-Difluorocyclobutanecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,3-DIFLUORO-CYCLOBUTANECARBONITRILE

There total 4 articles about 3,3-DIFLUORO-CYCLOBUTANECARBONITRILE 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: 99.0%

3-oxo-cyclobutanecarbonitrile (20249-16-5) → 3,3-difluorocyclobutane-1-carbonitrile (86770-80-1)

Guidance literature:

With N-ethyl-N-(trifluoromethylsulfanyl)ethanamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2013.04.049

Reference yield:

3-methylenecyclobutanecarbonitrile (15760-35-7) → 3,3-difluorocyclobutane-1-carbonitrile (86770-80-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 76 percent / sodium metaperiodate; ruthenium(III) trichloride monohydrate / CH₂Cl₂; acetonitrile; H₂O / 18 h / 20 °C

2: diethylaminosulfur trifluoride / CH₂Cl₂ / 18 h / 20 °C

With ruthenium trichloride; sodium periodate; diethylamino-sulfur trifluoride; In dichloromethane; water; acetonitrile;

DOI:10.1081/SCC-200050350

Reference yield:

3-oxobicyclobutanecarbonitrile → 3,3-difluorocyclobutane-1-carbonitrile (86770-80-1)

Guidance literature:

With sulfur tetrafluoride; In dichloromethane; for 24h;

DOI:10.1016/S0040-4039(00)81731-1

upstream raw materials:

3-oxo-cyclobutanecarbonitrile

3-methylenecyclobutanecarbonitrile

Downstream raw materials:

1-(3,3-difluorocyclobutyl)-methylamine hydrochloride

2-((3,3-difluorocyclobutyl)methyl)-3-oxo-N-(4-(trifluoromethoxy)benzyl)isoindoline-1-carboxamide

3,3-difluorocyclobutane-1-carbaldehyde

3,3-difluorocyclobutanecarboxylic acid

Refernces

• 1、 Ashcraft, Luke,Bergnes, Gustave,Chuang, Chihyuan,Collibee, Scott E.,Durham, Nickie,Garard, Marc,Gardina, Jeffrey,Hartman, James,Hinken, Aaron,Hwee, Darren T.,Jamison, Chris R.,Lu, Kevin,Lu, Pu-Ping,Malik, Fady I.,Marquez, Anna,Morgan, Bradley P.,Morgans, David,Muci, Alexander,Romero, Antonio,Schaletzky, Julia,Valkevich, Ellen,Wang, Wenyue,Warrington, Jeffrey,Xu, Donghong,Yao, Bing. "Discovery of Reldesemtiv, a Fast Skeletal Muscle Troponin Activator for the Treatment of Impaired Muscle Function". supporting information. p. 14930 - 14941. Retrieved 2021/11/01.
• 2、 -. "FUSED IMIDAZOLE COMPOUNDS". Page/Page column 88-89. . Retrieved 2015/09/23.