Cas no 398491-61-7 (tert-butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate)

Tert-butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate is a versatile heterocyclic building block used in medicinal chemistry and pharmaceutical research. Its pyrrolopyrazole core, featuring an amino group and a tert-butyl carboxylate moiety, offers synthetic flexibility for derivatization and scaffold modification. The sterically hindered 6,6-dimethyl substitution enhances stability, while the Boc (tert-butoxycarbonyl) protecting group allows for selective deprotection under mild acidic conditions. This compound is particularly valuable in the development of bioactive molecules, serving as a key intermediate for the synthesis of potential drug candidates. Its well-defined structure and functional group compatibility make it suitable for applications in fragment-based drug design and lead optimization.
tert-butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate structure
398491-61-7 structure
Product Name:tert-butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate
CAS No:398491-61-7
MF:C12H20N4O2
MW:252.312802314758
MDL:MFCD08275051
CID:304464
PubChem ID:40152088
Update Time:2025-06-08

tert-butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate
    • 3-Amino-5-Boc-6,6-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
    • 3-Amino-6,6-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylic acid tert-butyl ester
    • butyl 3-amino-66-dimethylpyrrolo[34-c]pyrazole-5(1H4H6H)-carboxylate
    • Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylicacid, 3-amino-4,6-dihydro-6,6-dimethyl-, 1,1-dimethylet...
    • Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylicacid, 3-amino-4,6-dihydro-6,6-dimethyl-, 1,1-dimethylethyl ester
    • tert-Butyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
    • Tert-butyl 3-amino-6,6-di-methylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate
    • TERT-BUTYL 3-AMINO-6,6-DIMETHYL-1H,4H,5H,6H-PYRROLO[3,4-C]PYRAZOLE-5-CARBOXYLATE
    • tert-Butyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxyl
    • 3-Amino-5-Boc-6,6-dimethyl-2,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
    • 718632-44-1
    • A23368
    • DS-10858
    • CS-M2484
    • 3-Amino-2,6-dihydro-6,6-dimethyl-pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid 1,1-dimethylethyl ester
    • 398491-61-7
    • EN300-1717187
    • 5-Boc-3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole
    • tert-Butyl 3-amino-6,6-dimethyl-2,6-dihydropyrrolo[3,4-c]pyrazole-5(4H)-carboxylate
    • MFCD08275051
    • tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
    • PB22146
    • DTXSID50653984
    • AKOS015920339
    • 3-Amino-5-Boc-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
    • MFCD12031273
    • 3-AMINO-5-(TERT-BUTOXYCARBONYL)-6,6-DIMETHYL-4,6-DIHYDRO-1H-PYRROLO[3,4-C]PYRAZOLE
    • tert-Butyl 3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate
    • BCP07797
    • AKOS015919279
    • SY015239
    • tert-Butyl3-amino-6,6-dimethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate
    • AM803844
    • XOQXOJPUZGHMLL-UHFFFAOYSA-N
    • FT-0645579
    • J-524521
    • SCHEMBL1368936
    • SB19888
    • Pyrrolo[3,4-c]pyrazole-5(4H)-carboxylic acid, 3-amino-2,6-dihydro-6,6-dimethyl-, 1,1-dimethylethyl ester
    • Tert-butyl 6,6-dimethyl-3-amino-4,6-dihydropyrrolo[3,4-c]pyrazole-5(1H)-carboxylate
    • DB-030563
    • tert-butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate
    • MDL： MFCD08275051
    • Inchi： 1S/C12H20N4O2/c1-11(2,3)18-10(17)16-6-7-8(12(16,4)5)14-15-9(7)13/h6H2,1-5H3,(H3,13,14,15)
    • InChI Key： XOQXOJPUZGHMLL-UHFFFAOYSA-N
    • SMILES： O(C(C)(C)C)C(N1CC2C(N)=NNC=2C1(C)C)=O

Computed Properties

  • Exact Mass: 252.15900
  • Monoisotopic Mass: 252.159
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 351
  • 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
  • Topological Polar Surface Area: 84.2
  • XLogP3: 0.7

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Solid
  • Density: 1.207
  • Melting Point: No data available
  • Boiling Point: 420.6℃ at 760 mmHg
  • Flash Point: 208.1 oC
  • Refractive Index: 1.567
  • PSA: 84.24000
  • LogP: 2.49680
  • Vapor Pressure: No data available

tert-butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate Security Information

tert-butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate 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%

tert-butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate Pricemore >>

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tert-butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate Suppliers

Amadis Chemical Company Limited
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(CAS:398491-61-7)tert-butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate
Order Number:A23368
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:15
Price ($):302.0

tert-butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate Related Literature

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398491-61-7 (tert-butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate) Related Products

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Amadis Chemical Company Limited
(CAS:398491-61-7)tert-butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate
A23368
Purity:99%
Quantity:25g
Price ($):302.0
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