Cas no 933986-97-1 (2-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine)

2-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine structure
933986-97-1 structure
Product Name:2-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CAS No:933986-97-1
MF:C15H23BN2O2
MW:274.166323900223
MDL:MFCD06798273
CID:93230
PubChem ID:43811062
Update Time:2024-10-26

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

Names and Identifiers

    • 2-Pyrrolidin-1-ylpyridine-5-boronic acid pinacol ester
    • 6-(1-Pyrrolidinyl)pyridine-3-boronic acid pinacol ester
    • (2-Pyrrolidin-1-yl)pyridine-5-boronic acid pinacol ester
    • 2-(Pyrrolidino)pyridine-5-boronic acid pinacol ester
    • 3,4-Pyridazinediamine
    • 6-[(pyrroline-1-yl)pyridine-3-yl]boronic acid pinacol ester
    • 2-(1-Pyrrolidinyl)-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)pyridine
    • 6-(PYRROLIDIN-1-YL)PYRIDINE-3-BORONIC ACID, PINACOL ESTER
    • 2-(1-Pyrrolidinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (ACI)
    • 2-(Pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)pyridine
    • 6-(Pyrrolidin-1-yl)pyridine-3-boronic acid pinacol ester
    • 2-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
    • J-505409
    • SCHEMBL1484906
    • 2-pyrrolidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
    • A849898
    • HGBBKKWVSQBIMM-UHFFFAOYSA-N
    • CS-0109731
    • ethylthioethylmethacrylate
    • 2-(pyrrolidin-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-pyridine
    • 933986-97-1
    • FD10007
    • AS-3091
    • 2-Pyrrolidin-1-ylpyridine-5-boronic acid pinacol ester, AldrichCPR
    • AB29929
    • 2-(pyrrolidin-1-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
    • MFCD06798273
    • FT-0649096
    • DTXSID20656447
    • AM20061628
    • 2-Pyrrolidinopyridine-5-boronic Acid Pinacol Ester
    • EN300-1706271
    • 2-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;2-(Pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1.3.2-dioxaborolan-2-yl)pyridine
    • AKOS000282831
    • SY008962
    • MDL: MFCD06798273
    • Inchi: 1S/C15H23BN2O2/c1-14(2)15(3,4)20-16(19-14)12-7-8-13(17-11-12)18-9-5-6-10-18/h7-8,11H,5-6,9-10H2,1-4H3
    • InChI Key: HGBBKKWVSQBIMM-UHFFFAOYSA-N
    • SMILES: O1B(C2=CN=C(C=C2)N2CCCC2)OC(C)(C)C1(C)C

Computed Properties

  • Exact Mass: 274.18500
  • Monoisotopic Mass: 274.185
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 340
  • 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: 34.6A^2

Experimental Properties

  • Density: 1.09
  • Melting Point: 118-121°C
  • Boiling Point: 413.4°C at 760 mmHg
  • Flash Point: 203.8°C
  • Refractive Index: 1.531
  • PSA: 34.59000
  • LogP: 2.04600

2-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine Security Information

2-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine Pricemore >>

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2-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ;  1 h, -78 °C
1.2 -78 °C; > 2 h, -78 °C; overnight, rt
1.3 Reagents: Ammonium chloride
Reference
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Production Method 2

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: 1,4-Dioxane ;  3 h, 110 °C
Reference
Preparation of heterocyclic compounds and compositions as modulators of TLR signaling
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Production Method 3

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  -78 °C; 30 min, -78 °C
1.2 2 h, -78 °C → rt
1.3 Reagents: Sodium bicarbonate Solvents: Water ;  rt
Reference
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Production Method 4

Reaction Conditions
1.1 Reagents: Butyllithium Solvents: Tetrahydrofuran ,  Hexane ;  rt → -78 °C; -78 °C; 30 min, -78 °C
1.2 2 h, -78 °C; -78 °C → rt
1.3 Reagents: Sodium bicarbonate Solvents: Water
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Production Method 5

Reaction Conditions
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Production Method 6

Reaction Conditions
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Production Method 7

Reaction Conditions
Reference
Preparation of pyrazolo[3,4-c]quinoline compounds as phosphatidylinositol 3 kinase inhibitors for therapeutic applications
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2-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine Raw materials

2-(pyrrolidin-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine Preparation Products

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