Cas no 49799-48-6 (1,5-Benzodiazepine-2,4-dione)

1,5-Benzodiazepine-2,4-dione is a heterocyclic compound featuring a benzodiazepine core with carbonyl groups at the 2 and 4 positions. This structure imparts unique reactivity and versatility, making it valuable in pharmaceutical and synthetic chemistry applications. Its rigid framework serves as a key intermediate in the synthesis of biologically active molecules, particularly CNS-targeting agents. The compound's stability and functional group compatibility allow for selective modifications, enabling the development of derivatives with tailored properties. Researchers leverage its scaffold for exploring structure-activity relationships in drug discovery. Handling requires standard laboratory precautions due to its potential sensitivity to moisture and light.
1,5-Benzodiazepine-2,4-dione structure
1,5-Benzodiazepine-2,4-dione structure
Product Name:1,5-Benzodiazepine-2,4-dione
CAS No:49799-48-6
MF:C9H8N2O2
MW:176.172021865845
MDL:MFCD00464634
CID:332286
PubChem ID:283534
Update Time:2025-05-27

1,5-Benzodiazepine-2,4-dione Chemical and Physical Properties

Names and Identifiers

    • 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione
    • 1,5-Benzodiazepine-2,4-dione
    • 1,5-Dihydro-benzo[b][1,4]diazepine-2,4-dione
    • 1,5-dihydro-1,5-benzodiazepine-2,4-dione
    • FT-0662550
    • UNII-F295F23IHE
    • CS-0133101
    • 2,4-Dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
    • SR-01000404281
    • Oprea1_593750
    • 49799-48-6
    • 1H-Benzo[b][1,4]diazepine-2,4(3H,5H)-dione
    • F295F23IHE
    • MFCD00464634
    • SMR001798043
    • HMS1608F11
    • MLS002920452
    • Z204013178
    • BENZO-1,4-DIAZACYCLOHEPTANE(2,3-D)-5,7-DIONE
    • SCHEMBL1235044
    • A828122
    • 1,5-Dihydro-2H-benzo[b][1,4]diazepine-2,4(3H)-dione
    • 2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione
    • UNFHOAZOCIELCW-UHFFFAOYSA-N
    • 1,5-DIHYDROBENZO(B)(1,4)DIAZEPINE-2,4-DIONE
    • 4J-909
    • NSC 138394
    • EN300-25421
    • AKOS000269278
    • NSC-138394
    • NSC138394
    • 1,5-Dihydrobenzo[b][1,4]diazepine-2,4-dione
    • DTXSID60198073
    • SR-01000404281-1
    • CHEMBL2143016
    • Benzo-1,4-diazacycloheptane[2,3-d]-5,7-dione
    • G21967
    • 1H-1,5-Benzodiazepine-2,4(3H,5H)-dione; 1,5-Benzodiazepine-2,4-dione; 1,5-Dihydrobenzo[b][1,4]diazepine-2,4-dione; Benzo-1,4-diazacycloheptane[2,3-d]-5,7-dione; NSC 138394
    • DTXCID90120564
    • 3,5-DIHYDRO-1H-1,5-BENZODIAZEPINE-2,4-DIONE
    • AE-848/01287001
    • STL450890
    • MDL： MFCD00464634
    • Inchi： 1S/C9H8N2O2/c12-8-5-9(13)11-7-4-2-1-3-6(7)10-8/h1-4H,5H2,(H,10,12)(H,11,13)
    • InChI Key： UNFHOAZOCIELCW-UHFFFAOYSA-N
    • SMILES： O=C1CC(NC2C=CC=CC=2N1)=O

Computed Properties

  • Exact Mass: 176.05900
  • Monoisotopic Mass: 176.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 216
  • 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
  • XLogP3: 0.7
  • Topological Polar Surface Area: 58.2?2

Experimental Properties

  • Density: 1.266
  • Boiling Point: 467.6°Cat760mmHg
  • Flash Point: 225.2°C
  • Refractive Index: 1.566
  • PSA: 58.20000
  • LogP: 1.24330

1,5-Benzodiazepine-2,4-dione 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%

1,5-Benzodiazepine-2,4-dione Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B198600-50mg
1,5-Benzodiazepine-2,4-dione
 49799-48-6
50mg
 $ 82.00 2023-04-19
TRC
B198600-100 mg
1,5-Benzodiazepine-2,4-dione
 49799-48-6
100MG
 $ 95.00 2022-01-12
TRC
B198600-250 mg
1,5-Benzodiazepine-2,4-dione
 49799-48-6
250MG
 $ 185.00 2022-01-12
TRC
B198600-500 mg
1,5-Benzodiazepine-2,4-dione
 49799-48-6
500MG
 $ 305.00 2022-01-12
TRC
B198600-1 g
1,5-Benzodiazepine-2,4-dione
 49799-48-6
1g
 $ 580.00 2022-01-12
Apollo Scientific
OR32749-1g
2,3,4,5-Tetrahydro-1H-1,5-benzodiazepine-2,4-dione
 49799-48-6 95%
1g
 ￡300.00 2023-09-02
Chemenu
CM521071-1g
1H-Benzo[b][1,4]diazepine-2,4(3H,5H)-dione
 49799-48-6 97%
1g
 $320 2022-06-11
TRC
B198600-100mg
1,5-Benzodiazepine-2,4-dione
 49799-48-6
100mg
 $ 121.00 2023-04-19
TRC
B198600-250mg
1,5-Benzodiazepine-2,4-dione
 49799-48-6
250mg
 $ 230.00 2023-04-19
TRC
B198600-500mg
1,5-Benzodiazepine-2,4-dione
 49799-48-6
500mg
 $ 374.00 2023-04-19

1,5-Benzodiazepine-2,4-dione Production Method

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