Cas no 876343-38-3 (5-Nitroisoindolin-1-one)

5-Nitroisoindolin-1-one structure
5-Nitroisoindolin-1-one structure
Product Name:5-Nitroisoindolin-1-one
CAS No:876343-38-3
MF:C8H6N2O3
MW:178.14484167099
MDL:MFCD10000827
CID:837944
Update Time:2024-10-26

5-Nitroisoindolin-1-one Chemical and Physical Properties

Names and Identifiers

    • 5-Nitroisoindolin-1-one
    • 2,3-dihydro-5-nitro-1H-Isoindol-1-one
    • 5-Nitro-2,3-dihydro-1H-isoindol-1-one
    • 5-nitro-2,3-dihydroisoindol-1-one
    • 5-Nitro-1-isoindolinone
    • CZXUANYPXDFFOG-UHFFFAOYSA-N
    • RW3305
    • FCH880300
    • 3910AC
    • 5-Nitro-2,3-dihydro-isoindol-1-one
    • PB28119
    • AM807263
    • OR305280
    • AX8211761
    • AB1004420
    • AB0071286
    • ST24044927
    • J-
    • 2,3-Dihydro-5-nitro-1H-isoindol-1-one (ACI)
    • MDL: MFCD10000827
    • Inchi: 1S/C8H6N2O3/c11-8-7-2-1-6(10(12)13)3-5(7)4-9-8/h1-3H,4H2,(H,9,11)
    • InChI Key: CZXUANYPXDFFOG-UHFFFAOYSA-N
    • SMILES: O=C1C2C(=CC([N+](=O)[O-])=CC=2)CN1

Computed Properties

  • Exact Mass: 178.03800
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 248
  • Topological Polar Surface Area: 74.9

Experimental Properties

  • PSA: 74.92000
  • LogP: 1.69020

5-Nitroisoindolin-1-one 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%

5-Nitroisoindolin-1-one Pricemore >>

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5-Nitroisoindolin-1-one Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Oxalyl chloride Catalysts: Dimethylformamide Solvents: Dichloromethane ;  < 5 min, 0 °C; 4 h, rt
1.2 Reagents: Potassium carbonate Solvents: Ethyl acetate ,  Water ;  12 h, rt
2.1 Reagents: Cupric acetate Catalysts: L-Alanine ,  Bis[dichloro[η5-(pentamethylcyclopentadienyl)]rhodium] ,  Silver hexafluoroantimonate Solvents: 2,2,2-Trifluoroethanol ;  24 h, 110 °C
Reference
Rhodium(III)-Catalyzed Intramolecular Benzylic C(sp 3 )-H Amidation for the Synthesis of Isoindolinones
Yang, Darun; et al, Synthesis, 2023, 55(3), 481-488

Production Method 2

Reaction Conditions
1.1 Reagents: Cupric acetate Catalysts: L-Alanine ,  Bis[dichloro[η5-(pentamethylcyclopentadienyl)]rhodium] ,  Silver hexafluoroantimonate Solvents: 2,2,2-Trifluoroethanol ;  24 h, 110 °C
Reference
Rhodium(III)-Catalyzed Intramolecular Benzylic C(sp 3 )-H Amidation for the Synthesis of Isoindolinones
Yang, Darun; et al, Synthesis, 2023, 55(3), 481-488

5-Nitroisoindolin-1-one Raw materials

5-Nitroisoindolin-1-one Preparation Products

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