Cas no 82205-58-1 (1-(5-Nitro-2-pyridinyl)piperazine)

1-(5-Nitro-2-pyridinyl)piperazine structure
82205-58-1 structure
Product Name:1-(5-Nitro-2-pyridinyl)piperazine
CAS No:82205-58-1
MF:C9H12N4O2
MW:208.21718120575
MDL:MFCD00053059
CID:60416
PubChem ID:2928799
Update Time:2024-10-27

1-(5-Nitro-2-pyridinyl)piperazine Chemical and Physical Properties

Names and Identifiers

    • 1-(5-Nitropyridin-2-yl)piperazine
    • 1-(5-NITRO-PYRIDIN-2-YL)-PIPERAZINE
    • Piperazine,1-(5-nitro-2-pyridyl)- (6CI)
    • 4-(5-Nitropyridin-2-yl)piperazine
    • 5-Nitro-2-piperazinylpyridine
    • 1-(5-nitro-2-pyridinyl)piperazine
    • (5-nitro-2-pyridyl)piperazine
    • 1-(5-nitro-2-pyridyl)piperazine
    • 5-Nitro-2-piperazinyl-pyridine
    • YEPRCPIKTUGVHG-UHFFFAOYSA-N
    • 4-(5-nitro-2-pyridinyl)piperazine
    • STK691808
    • SBB014510
    • 1-(5-nitro-2-pyridinyl)-piperazine
    • Piperazine,1-(5-nitro-2-pyridinyl)-
    • 1-((5-ni
    • 1-(5-Nitro-2-pyridinyl)piperazine (ACI)
    • Piperazine, 1-(5-nitro-2-pyridyl)- (6CI)
    • N-(5-Nitropyridin-2-yl)piperazine
    • CS-0148490
    • AKOS000123123
    • FT-0659481
    • 1-(5-Nitropyridin-2-yl)piperazine, AldrichCPR
    • BB 0237425
    • DTXSID50387878
    • PS-3972
    • MFCD00053059
    • EN300-41962
    • SR-01000253068
    • DS-0028
    • Z199418004
    • 82205-58-1
    • SR-01000253068-1
    • AM20070098
    • AS-871/43475564
    • SCHEMBL670110
    • 1-(5-Nitro-2-pyridinyl)piperazine
    • MDL： MFCD00053059
    • Inchi： 1S/C9H12N4O2/c14-13(15)8-1-2-9(11-7-8)12-5-3-10-4-6-12/h1-2,7,10H,3-6H2
    • InChI Key： YEPRCPIKTUGVHG-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1C=CC(N2CCNCC2)=NC=1)=O

Computed Properties

  • Exact Mass: 208.09600
  • Monoisotopic Mass: 208.096
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 225
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.5
  • Topological Polar Surface Area: 74

Experimental Properties

  • Color/Form: No data avaiable
  • Density: No data available
  • Melting Point: No data available
  • Boiling Point: 418.1°C at 760 mmHg
  • Flash Point: No data available
  • PSA: 73.98000
  • LogP: 1.31640
  • Vapor Pressure: No data available

1-(5-Nitro-2-pyridinyl)piperazine Security Information

1-(5-Nitro-2-pyridinyl)piperazine Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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1-(5-Nitro-2-pyridinyl)piperazine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Water ;  rt → 150 °C; 15 min, 150 °C
2.1 Reagents: Trifluoroacetic acid Solvents: Dichloromethane ;  2 h, rt
Reference
Synthesis and solid state study of pyridine- and pyrimidine-based fragment libraries
Spencer, John; et al, Tetrahedron Letters, 2011, 52(45), 5905-5909

Production Method 2

Reaction Conditions
1.1 Reagents: Trifluoroacetic acid Solvents: Dichloromethane
Reference
Lead optimization of a pyridine-carboxamide series as DGAT-1 inhibitors
Ting, Pauline C.; et al, Bioorganic & Medicinal Chemistry Letters, 2013, 23(4), 985-988

Production Method 3

Reaction Conditions
1.1 Reagents: Diisopropylethylamine Solvents: Dimethylformamide ;  100 °C
2.1 Reagents: Trifluoroacetic acid Solvents: Dichloromethane
Reference
Lead optimization of a pyridine-carboxamide series as DGAT-1 inhibitors
Ting, Pauline C.; et al, Bioorganic & Medicinal Chemistry Letters, 2013, 23(4), 985-988

Production Method 4

Reaction Conditions
1.1 Reagents: Triethylamine Solvents: Methanol ,  Acetonitrile ;  rt
Reference
Design and synthesis of pyridine-substituted itraconazole analogues with improved antifungal activities, water solubility and bioavailability
Liu, Yu; et al, Bioorganic & Medicinal Chemistry Letters, 2011, 21(16), 4779-4783

Production Method 5

Reaction Conditions
1.1 Solvents: Acetonitrile ;  2.5 h, rt
Reference
Syntheses and antibacterial activity of a series of 3-(pyridine-3-yl)-2-oxazolidinone
Cui, Yingjie; et al, European Journal of Medicinal Chemistry, 2005, 40(2), 209-214

Production Method 6

Reaction Conditions
1.1 Solvents: Acetonitrile ;  18 h, reflux
Reference
Identification and biological evaluation of 4-(3-trifluoromethylpyridin-2-yl)piperazine-1-carboxylic acid (5-trifluoromethylpyridin-2-yl)amide, a high affinity TRPV1 (VR1) vanilloid receptor antagonist
Swanson, Devin M.; et al, Journal of Medicinal Chemistry, 2005, 48(6), 1857-1872

1-(5-Nitro-2-pyridinyl)piperazine Raw materials

1-(5-Nitro-2-pyridinyl)piperazine Preparation Products

1-(5-Nitro-2-pyridinyl)piperazine Related Literature

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