Cas no 1245831-55-3 (1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl] -cyclobutanecarbonitrile)

1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclobutanecarbonitrile is a boronic ester derivative featuring a cyclobutylcarbonitrile substituent. This compound is primarily utilized as an intermediate in Suzuki-Miyaura cross-coupling reactions, enabling the synthesis of complex biaryl structures. The presence of the tetramethyl dioxaborolane group enhances stability, facilitating handling and storage under ambient conditions. The cyclobutanecarbonitrile moiety offers steric and electronic modulation, making it valuable in medicinal chemistry and materials science applications. Its high purity and consistent reactivity ensure reliable performance in catalytic transformations. This reagent is particularly useful in constructing pharmaceutical scaffolds and functionalized organic materials.
1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl] -cyclobutanecarbonitrile structure
1245831-55-3 structure
Product Name:1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl] -cyclobutanecarbonitrile
CAS No:1245831-55-3
MF:C17H22BNO2
MW:283.17308473587
MDL:MFCD19689512
CID:1091878
PubChem ID:58034663
Update Time:2025-05-28

1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl] -cyclobutanecarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutanecarbonitrile
    • 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutane-1-carbonitrile
    • 1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl] -cyclobutanecarbonitrile
    • 1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclobutanecarbonitrile
    • EN300-12575857
    • CS-0356815
    • AKOS022178775
    • RRILNLLICJXSIA-UHFFFAOYSA-N
    • 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutane-1-carbonitrile
    • 1245831-55-3
    • AB92059
    • Z2044738495
    • DTXSID00728676
    • DA-13696
    • 1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]cyclobutanecarbonitrile
    • PS-16154
    • 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutane carbonitrile
    • F85952
    • SCHEMBL238507
    • 1-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutane-1-carbonitrile
    • MDL: MFCD19689512
    • Inchi: 1S/C17H22BNO2/c1-15(2)16(3,4)21-18(20-15)14-8-6-13(7-9-14)17(12-19)10-5-11-17/h6-9H,5,10-11H2,1-4H3
    • InChI Key: RRILNLLICJXSIA-UHFFFAOYSA-N
    • SMILES: O1B(C2C=CC(=CC=2)C2(C#N)CCC2)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 283.1743591g/mol
  • Monoisotopic Mass: 283.1743591g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 2
  • Complexity: 437
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 42.2?2

1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl] -cyclobutanecarbonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutanecarbonitrile
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1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl] -cyclobutanecarbonitrile
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Advanced ChemBlocks
A-609-1G
1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclobutanecarbonitrile
1245831-55-3 95%
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$720 2024-05-21
Advanced ChemBlocks
A-609-5G
1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclobutanecarbonitrile
1245831-55-3 95%
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eNovation Chemicals LLC
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$185 2024-07-21

1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl] -cyclobutanecarbonitrile Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:1245831-55-3)1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl] -cyclobutanecarbonitrile
Order Number:A1043021
Stock Status:in Stock
Quantity:100mg/250mg/1g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 17:14
Price ($):157.0/240.0/630.0
Recommended suppliers
Amadis Chemical Company Limited
(CAS:1245831-55-3)1-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl] -cyclobutanecarbonitrile
A1043021
Purity:99%/99%/99%
Quantity:100mg/250mg/1g
Price ($):157.0/240.0/630.0
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