1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarbonitrile

Base Information

• Chemical Name: 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarbonitrile
• CAS No.: 1206641-31-7
• Molecular Formula: C₁₆H₂₀BNO₂
• Molecular Weight: 269.151
• DSSTox Substance ID: DTXSID30698338
• Wikidata: Q82628523
• Mol file: 1206641-31-7.mol

Synonyms:1206641-31-7;1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarbonitrile;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carbonitrile;1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarbonitrile;1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropane-1-carbonitrile;SCHEMBL342968;DTXSID30698338;LQTZQARAJYGKBH-UHFFFAOYSA-N;(4-(1-CYANOCYCLOPROPYL)PHENYL)BORONIC ACID PINACOL ESTER;AMY13920;MFCD18383917;1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carbonitrile;AKOS022178748;DS-8458;CS-0037668;Y10430;EN300-7419118;A892142;A1-32386;Z2044739056;1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl] -cyclopropanecarbonitrile;1-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)PHENYL]CYCLOPROPANECARBONITRILE

Chemical Property of 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarbonitrile

Chemical Property:

• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 269.1587090
• Heavy Atom Count: 20
• Complexity: 423

Purity/Quality:

99%, ^*data from raw suppliers

1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CC3)C#N

Technology Process of 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarbonitrile

There total 1 articles about 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarbonitrile 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:

→ 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarbonitrile (1206641-31-7)

Guidance literature:

Reference yield: 76.0%

5-bromopyrazolo[1,5-a]pyridine (1060812-84-1) + 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarbonitrile (1206641-31-7) → 1-(4-pyrazolo[1,5-a]pyridin-5-ylphenyl)cyclopropanecarbonitrile

Guidance literature:

With potassium phosphate; bis[tris( 1,1-dimethylethyl)phosphine]-palladium; In 1,4-dioxane; water; at 80 ℃; for 16h;

Reference yield: 76.0%

1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarbonitrile (1206641-31-7) + ethyl 4-chloro-6-methoxyquinolin-3-carboxylate (22931-71-1) → ethyl 4-(4-(1-cyanocyclopropyl)phenyl)-6-methoxyquinoline-3-carboxylate

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium carbonate; In water; N,N-dimethyl-formamide; at 110 ℃; for 1.5h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.8b00270

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