Cas no 850663-54-6 (4-chloro-5-nitro-1,2-dihydropyridin-2-one)

4-chloro-5-nitro-1,2-dihydropyridin-2-one structure
850663-54-6 structure
Product Name:4-chloro-5-nitro-1,2-dihydropyridin-2-one
CAS No:850663-54-6
MF:C5H3ClN2O3
MW:174.541919946671
MDL:MFCD11046303
CID:720454
PubChem ID:42609067
Update Time:2025-09-25

4-chloro-5-nitro-1,2-dihydropyridin-2-one Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-5-nitropyridin-2(1H)-one
    • 2(1H)-Pyridinone, 4-chloro-5-nitro-
    • 4-Chloro-2-hydroxy-5-nitropyridine
    • 4-chloro-5-nitro-1H-pyridin-2-one
    • 4-Chloro-5-nitro-pyridin-2-ol
    • 4-chloro-5-nitropyridin-2-ol
    • 4-Chloro-5-nitro-2-hydroxypyridine
    • zlchem 658
    • PubChem18668
    • ZLD0108
    • VZBXTOUZMQUTIQ-UHFFFAOYSA-N
    • RW3033
    • SBB055631
    • FCH836744
    • 4-chloro-5-nitro-1,2-dihydropyridin-2-one
    • 4-Chloro-5-nitro-2(1H)-pyridinone (ACI)
    • SCHEMBL1516544
    • A841185
    • AKOS006282795
    • AMY25007
    • CS-W001882
    • AKOS015917080
    • BL000705
    • AB54703
    • 850663-54-6
    • J-515068
    • SY007150
    • EN300-94988
    • PS-5608
    • DTXSID00654901
    • AC-9437
    • GS-5858
    • MFCD09907963
    • SCHEMBL19015437
    • FT-0647292
    • DB-076234
    • MDL: MFCD11046303
    • Inchi: 1S/C5H3ClN2O3/c6-3-1-5(9)7-2-4(3)8(10)11/h1-2H,(H,7,9)
    • InChI Key: VZBXTOUZMQUTIQ-UHFFFAOYSA-N
    • SMILES: ClC1=CC(NC=C1[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 173.98300
  • Monoisotopic Mass: 173.983
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 276
  • 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
  • Isotope Atom Count: 0
  • Topological Polar Surface Area: 74.9
  • XLogP3: 0.1

Experimental Properties

  • Density: 1.664
  • Boiling Point: 430.9°C at 760 mmHg
  • Flash Point: 214.4°C
  • Refractive Index: 1.637
  • PSA: 78.94000
  • LogP: 1.87200

4-chloro-5-nitro-1,2-dihydropyridin-2-one Customs Data

  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. 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:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

4-chloro-5-nitro-1,2-dihydropyridin-2-one Pricemore >>

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4-chloro-5-nitro-1,2-dihydropyridin-2-one Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide ,  Ammonia Catalysts: tert-Butyl hydroperoxide Solvents: Tetrahydrofuran ,  Decane ;  -78 °C → -35 °C; 5 min, 0 °C; 0 °C; 1.5 h, -35 °C
1.2 Reagents: Ammonium chloride Solvents: Water ;  16 h, -35 °C → rt
Reference
Design and synthesis of a novel series of cyclohexyloxy-pyridyl derivatives as inhibitors of diacylglycerol acyl transferase 1
Plowright, Alleyn T.; Barton, Peter; Bennett, Stuart; Birch, Alan M.; Birtles, Susan; et al, MedChemComm, 2013, 4(1), 151-158

Production Method 2

Reaction Conditions
1.1 Reagents: Potassium tert-butoxide ,  Ammonia Solvents: Tetrahydrofuran ;  -78 °C → -35 °C
1.2 Reagents: tert-Butyl hydroperoxide Solvents: Tetrahydrofuran ;  0 °C
1.3 Solvents: Tetrahydrofuran ;  30 min, -35 °C; 30 min, -35 °C; -35 °C → -78 °C
1.4 Reagents: Ammonium chloride Solvents: Water ;  -78 °C → rt
Reference
Identification and Optimization of Benzimidazole Sulfonamides as Orally Bioavailable Sphingosine 1-Phosphate Receptor 1 Antagonists with in Vivo Activity
Hennessy, Edward J.; Oza, Vibha; Adam, Ammar; Byth, Kate; Castriotta, Lillian; et al, Journal of Medicinal Chemistry, 2015, 58(17), 7057-7075

Production Method 3

Reaction Conditions
1.1 Reagents: tert-Butyl hydroperoxide ,  Potassium tert-butoxide ,  Ammonia Solvents: Tetrahydrofuran
Reference
Syntheses of 4- and 6-substituted thiazolo[4,5-c]pyridines
Huang, Yuhua; Bennett, Frank; Girijavallabhan, Vinay; Alvarez, Carmen; Chan, Tze-Ming; et al, Tetrahedron Letters, 2010, 51(21), 2800-2802

Production Method 4

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  rt → -78 °C
1.2 Reagents: Potassium tert-butoxide ,  Ammonia ;  -78 °C → -35 °C
1.3 Solvents: Tetrahydrofuran ;  rt → 0 °C
1.4 Reagents: tert-Butyl hydroperoxide Solvents: Decane ;  5 min, 0 °C
1.5 1 h, -35 °C; 2 h, -35 °C
1.6 Reagents: Ammonium chloride Solvents: Water
Reference
Discovery of Aminofurazan-azabenzimidazoles as Inhibitors of Rho-Kinase with High Kinase Selectivity and Antihypertensive Activity
Stavenger, Robert A.; Cui, Haifeng; Dowdell, Sarah E.; Franz, Robert G.; Gaitanopoulos, Dimitri E.; et al, Journal of Medicinal Chemistry, 2007, 50(1), 2-5

Production Method 5

Reaction Conditions
1.1 Reagents: tert-Butyl hydroperoxide ,  Potassium tert-butoxide Solvents: Dimethylformamide ,  Decane ;  -35 °C; 2 h, -35 °C
1.2 Reagents: Ammonium chloride Solvents: Water ;  30 min, rt
1.3 Reagents: Potassium carbonate Solvents: Water ;  pH 8 - 9
Reference
Novel 2,4,5-trisubstituted pyridines as key intermediates for the preparation of the TSPO ligand 6-F-PBR28: Synthesis and full 1H and 13C NMR characterization
Damont, Annelaure; Lemee, Frederic; Raggiri, Guillaume; Dolle, Frederic, Journal of Heterocyclic Chemistry, 2014, 51(2), 404-410

4-chloro-5-nitro-1,2-dihydropyridin-2-one Raw materials

4-chloro-5-nitro-1,2-dihydropyridin-2-one Preparation Products

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