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CS-W001157 4
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5-tert-Butyl 1-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate

  • CAS No. 718632-47-4

  • Cat. No. CS-M2485
  • Purity≥98%
  • MDL No.MFCD22376574

*For research and further manufacturing use only, not for direct human use.

5-tert-Butyl 1-ethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-1,5(4H,6H)-dicarboxylate|CS-M2485

Structure of 718632-47-4

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General Information

  • CAS No. 718632-47-4
  • Cat. No. CS-M2485
  • Purity ≥98%
  • MDL No. MFCD22376574
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₄N₄O₄
  • Molecular Weight 324.38
  • Synonym(s) Pyrrolo[3,4-c]pyrazole-1,5-dicarboxylic acid, 3-aMino-4,6-dihydro-6,6-diMethyl-, 5-(1,1-diMethylethyl) 1-ethyl ester
  • SMILES O=C(OC(C)(C)C)N1C(C)(C)C2=C(C1)C(N)=NN2C(OCC)=O

Synthesis

  • Route1

    References

    • Guo, Chuangxing; McAlpine, Indrawan; Zhang, Junhu; Knighton, Daniel D.; Kephart, Susan; Johnson, M. Catherine; Li, Haitao; Bouzida, Djamal; Yang, Anle; Dong, Liming; Marakovits, Joseph; Tikhe, Jayashree; Richardson, Paul; Guo, Lisa C.; Kania, Robert; Edwards, Martin P.; Kraynov, Eugenia; Christensen, James; Piraino, Joseph; Lee, Joseph; Dagostino, Eleanor; Del-Carmen, Christine; Deng, Ya-Li; Smeal, Tod; Murray, Brion W. Journal of Medicinal Chemistry, 2012 , vol. 55, # 10 p. 4728 - 4739
  • Route2

    References

    • Guo, Chuangxing; McAlpine, Indrawan; Zhang, Junhu; Knighton, Daniel D.; Kephart, Susan; Johnson, M. Catherine; Li, Haitao; Bouzida, Djamal; Yang, Anle; Dong, Liming; Marakovits, Joseph; Tikhe, Jayashree; Richardson, Paul; Guo, Lisa C.; Kania, Robert; Edwards, Martin P.; Kraynov, Eugenia; Christensen, James; Piraino, Joseph; Lee, Joseph; Dagostino, Eleanor; Del-Carmen, Christine; Deng, Ya-Li; Smeal, Tod; Murray, Brion W. Journal of Medicinal Chemistry, 2012 , vol. 55, # 10 p. 4728 - 4739

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   99.68
  • LogP   2.4557
  • H_Acceptors   7
  • H_Donors   1
  • Rotatable_Bonds   1

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