Cas no 940285-00-7 (2-(4-ethyl-piperazin-1-yl)pyridine-5-boronic acid pinacol)

2-(4-ethyl-piperazin-1-yl)pyridine-5-boronic acid pinacol structure
940285-00-7 structure
Product Name:2-(4-ethyl-piperazin-1-yl)pyridine-5-boronic acid pinacol
CAS No:940285-00-7
MF:C17H28BN3O2
MW:317.234124183655
MDL:MFCD11975412
CID:1033349
PubChem ID:53398057
Update Time:2024-12-09

2-(4-ethyl-piperazin-1-yl)pyridine-5-boronic acid pinacol Chemical and Physical Properties

Names and Identifiers

    • 1-Ethyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine
    • 1-Ethyl-4-[5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
    • 6-(4-Ethyl-piperazin-1-yl)pyridine-3-boronic acid pinacol ester
    • 1-Ethyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
    • 1-Ethyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine (ACI)
    • 2-(4-ethyl-piperazin-1-yl)pyridine-5-boronic acid pinacol
    • CS-0176020
    • FD10322
    • ethyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine
    • DTXSID20694405
    • MFCD11975412
    • 2-(4-Ethyl-piperazin-1-yl)pyridine-5-boronic acid pinacol ester
    • AKOS015949861
    • 1-ethyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
    • AS-3172
    • 940285-00-7
    • SCHEMBL13778135
    • DB-089348
    • 6-(4-Ethyl-piperazin-1-yl)pyridine-3-boronicacidpinacolester
    • DSHOOXGDGVOLGA-UHFFFAOYSA-N
    • MDL: MFCD11975412
    • Inchi: 1S/C17H28BN3O2/c1-6-20-9-11-21(12-10-20)15-8-7-14(13-19-15)18-22-16(2,3)17(4,5)23-18/h7-8,13H,6,9-12H2,1-5H3
    • InChI Key: DSHOOXGDGVOLGA-UHFFFAOYSA-N
    • SMILES: N1C(N2CCN(CC)CC2)=CC=C(B2OC(C)(C)C(C)(C)O2)C=1

Computed Properties

  • Exact Mass: 317.22700
  • Monoisotopic Mass: 317.2274573 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 3
  • Complexity: 395
  • 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
  • Molecular Weight: 317.2
  • Topological Polar Surface Area: 37.8?2

Experimental Properties

  • Density: 1.09±0.1 g/cm3 (20 oC 760 Torr),
  • PSA: 37.83000
  • LogP: 1.52560

2-(4-ethyl-piperazin-1-yl)pyridine-5-boronic acid pinacol Security Information

2-(4-ethyl-piperazin-1-yl)pyridine-5-boronic acid pinacol Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-(4-ethyl-piperazin-1-yl)pyridine-5-boronic acid pinacol Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Tetrahydrofuran ;  overnight, rt
Reference
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Production Method 2

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Dimethylformamide ;  overnight, rt
Reference
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Production Method 3

Reaction Conditions
1.1 Solvents: Dimethyl sulfoxide ;  3 h, 150 °C
1.2 Reagents: Water
Reference
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Production Method 4

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Dimethyl sulfoxide ;  4 h, 80 °C; overnight, 100 °C
Reference
Preparation of heterocyclic compounds as CCR4 or TARC and/or MDC function regulators
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Production Method 5

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: [1,1′-Bis(diphenylphosphino)ferrocene]dichloropalladium Solvents: Dimethyl sulfoxide ;  4 h, 80 °C; overnight, 100 °C
Reference
Preparation of pyrazolopyrimidine derivatives or analogs thereof as CCR4 function modulators
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Production Method 6

Reaction Conditions
Reference
Preparation of heterocyclic compounds as CCR4 or TARC and/or MDC function regulators
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Production Method 7

Reaction Conditions
1.1 Reagents: Potassium acetate Catalysts: Dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane addu… Solvents: 1,4-Dioxane ;  2 h, 120 °C
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2-(4-ethyl-piperazin-1-yl)pyridine-5-boronic acid pinacol Raw materials

2-(4-ethyl-piperazin-1-yl)pyridine-5-boronic acid pinacol Preparation Products

2-(4-ethyl-piperazin-1-yl)pyridine-5-boronic acid pinacol Related Literature

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