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CS-W001157 4
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Methyl 1-tert-butyl-5-methyl-1h-pyrazole-4-carboxylate

  • CAS No. 950858-97-6

  • Cat. No. CS-0232848
  • Purity95+%
  • MDL No.None

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

Methyl 1-tert-butyl-5-methyl-1h-pyrazole-4-carboxylate|CS-0232848

Structure of 950858-97-6

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General Information

  • CAS No. 950858-97-6
  • Cat. No. CS-0232848
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆N₂O₂
  • Molecular Weight 196.25
  • Synonym(s) methyl 1-(tert-butyl)-5-methyl-1H-pyrazole-4-carboxylate
  • SMILES CC1=C(C=NN1C(C)(C)C)C(=O)OC

Synthesis

  • Route1

    References

    • Anderson, Kevin William; Fotouhi, Nader; Gillespie, Paul; Goodnow, Robert Alan; Guertin, Kevin Richard; Haynes, Nancy-Ellen; Myers, Michael Paul; Pietranico-Cole, Sherrie Lynn; Qi, Lida; Rossman, Pamela Loreen; Scott, Nathan Robert; Thakkar, Kshitij Chhabilbhai; Tilley, Jefferson Wright; Zhang, Qiang Patent: US2007/225280 A1, 2007 ; Location in patent: Page/Page column 40 ; US 20070225280 A1
  • Route2

    References

    • PLAYER, Mark R.; Calvo, Raul; Chen, Jinsheng; Meegalla, Sanath; Parks, Daniel; Parsons, William; Ballentine, Scott; Branum, Shawn Patent: US2011/218197 A1, 2011 ; Location in patent: Page/Page column 46 ; US 20110218197 A1

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   44.12
  • LogP   1.73312
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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