Cas no 934426-22-9 (2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile)

2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile structure
934426-22-9 structure
Product Name:2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No:934426-22-9
MF:C13H17BN2O2
MW:244.097283124924
MDL:MFCD16996233
CID:2112616
PubChem ID:58540750
Update Time:2024-10-26

2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)Benzonitrile
    • (4-Amino-3-cyanophenyl)boronic acid pinacol ester
    • JWCNIIZUTIYXTL-UHFFFAOYSA-N
    • MB20256
    • FCH2776335
    • 2-AMINO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZONITRILE
    • 2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile (ACI)
    • 2-Amino-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
    • AKOS027339223
    • EN300-7400601
    • A1-33584
    • SCHEMBL1668230
    • 4-Amino-3-cyanophenylboronic Acid Pinacol Ester
    • 2-amino-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzonitrile
    • AS-40347
    • DB-292760
    • 934426-22-9
    • CS-0128682
    • MFCD16996233
    • SY242760
    • Z2044798731
    • 2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
    • MDL: MFCD16996233
    • Inchi: 1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-5-6-11(16)9(7-10)8-15/h5-7H,16H2,1-4H3
    • InChI Key: JWCNIIZUTIYXTL-UHFFFAOYSA-N
    • SMILES: O1B(C2C=CC(=C(C#N)C=2)N)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 244.1383080g/mol
  • Monoisotopic Mass: 244.1383080g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 358
  • 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: 68.3

2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
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Chemenu
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2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
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Chemenu
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2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
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Chemenu
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2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
934426-22-9 95+%
1g
$257 2022-08-31

2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ;  16 h, 80 °C
Reference
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Production Method 2

Reaction Conditions
Reference
Antibody-ALK5 inhibitor conjugates and their uses
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Dimethylformamide ;  4 h, rt → 80 °C
Reference
Preparation of triazolylanilinoquinazolines as antivirals.
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichlorobis(triphenylphosphine)palladium Solvents: Dimethylformamide ;  4 h, rt → 80 °C
Reference
Quinazoline derivatives, useful in treating or preventing a flaviviridae infection, processes for preparing them, and pharmaceutical compositions containing them
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ;  20 h, 80 °C
Reference
Amide compound having BET proteolysis-inducing action, and medicinal application thereof
, World Intellectual Property Organization, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ;  30 min, 85 °C
Reference
Pyrrolopyridines and related compounds as Tank-binding kinase inhibitors and their preparation
, United States, , ,

Production Method 7

Reaction Conditions
1.1 Reagents: Sodium acetate Catalysts: Tricyclohexylphosphine ,  Tris(dibenzylideneacetone)dipalladium Solvents: 1,4-Dioxane ;  30 h, 90 °C
1.2 Reagents: Water
Reference
Pyrazolopyridine derivatives for use in the treatment of bladder cancer
, World Intellectual Property Organization, , ,

Production Method 8

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ;  16 h, 80 °C
Reference
Nitrogen-containing heterocyclic compound, its preparation method, intermediate, composition and application
, China, , ,

Production Method 9

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  16 h, 80 °C
Reference
Preparation of nitrogenous heterocyclic compounds as ErbB2 inhibitors
, World Intellectual Property Organization, , ,

Production Method 10

Reaction Conditions
1.1 Catalysts: Bis[(1,2,5,6-η)-1,5-cyclooctadiene]di-μ-methoxydiiridium ,  2861929-14-6 Solvents: Tetrahydrofuran ;  2 min, rt
1.2 12 h, rt
Reference
Ligand- and Substrate-Controlled para C-H Borylation of Anilines at Room Temperature
Haldar, Chabush ; Bisht, Ranjana; Chaturvedi, Jagriti; Guria, Saikat; Hassan, Mirja Mahamudul Md; et al, Organic Letters, 2022, 24(44), 8147-8152

Production Method 11

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ;  16 h, 80 °C; cooled
Reference
Preparation of substituted pyrimidinylbenzonitriles as IKK-related kinase ε and TANK-binding kinase 1 inhibitors
, World Intellectual Property Organization, , ,

Production Method 12

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ;  1 h, 130 °C
Reference
Optimization of physicochemical properties for 4-anilinoquinazoline inhibitors of trypanosome proliferation
Woodring, Jennifer L.; Bachovchin, Kelly A.; Brady, Kimberly G.; Gallerstein, Mitchell F.; Erath, Jessey; et al, European Journal of Medicinal Chemistry, 2017, 141, 446-459

Production Method 13

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Dimethyl sulfoxide ;  overnight, 80 °C
Reference
Preparation of indazole compounds as glucokinase activators for treating diabetes and obesity
, World Intellectual Property Organization, , ,

Production Method 14

Reaction Conditions
1.1 Reagents: Tripotassium phosphate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ,  Water ;  rt → 70 °C; overnight, 70 °C
Reference
Preparation of substituted pyridinecarboxamides and benzamides useful in cancer treatments targeting cancer stem cells
, World Intellectual Property Organization, , ,

Production Method 15

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  10 min, rt → 110 °C
Reference
Discovery and evaluation of 3,5-disubstituted indole derivatives as Pim kinase inhibitors
More, Kunal N.; Hong, Victor S.; Lee, Ahyeon; Park, Jongsung; Kim, Shin; et al, Bioorganic & Medicinal Chemistry Letters, 2018, 28(14), 2513-2517

Production Method 16

Reaction Conditions
1.1 Reagents: Sodium acetate Catalysts: Tricyclohexylphosphine ,  Tris(dibenzylideneacetone)dipalladium Solvents: 1,4-Dioxane ;  30 h, 90 °C
1.2 Reagents: Water
Reference
Process for the preparation of pyrazolopyridine derivatives and therapeutic use thereof
, United States, , ,

Production Method 17

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  2 d, 80 °C
Reference
Aminotriazine derivatives as tank-binding kinase inhibitor and their preparation
, World Intellectual Property Organization, , ,

Production Method 18

Reaction Conditions
1.1 Reagents: Sodium acetate Catalysts: Tricyclohexylphosphine ,  Tris(dibenzylideneacetone)dipalladium Solvents: 1,4-Dioxane ;  30 h, 90 °C
1.2 Solvents: Water
Reference
Preparation of pyrazolopyridines as fibroblast growth factor (FGF) inhibitors, particularly FGF antagonists, and as angiogenesis inhibitors for treatment of inflammation, cancer and cardiovascular diseases
, France, , ,

2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Raw materials

2-Amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile Preparation Products

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