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CS-W001157 4
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Methyl 5-bromo-1-methyl-1H-pyrrole-2-carboxylate

  • CAS No. 1196-07-2

  • Cat. No. CS-0151223
  • Purity≥97%
  • MDL No.MFCD19703858

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

Methyl 5-bromo-1-methyl-1H-pyrrole-2-carboxylate|CS-0151223

Structure of 1196-07-2

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General Information

  • CAS No. 1196-07-2
  • Cat. No. CS-0151223
  • Purity ≥97%
  • MDL No. MFCD19703858
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈BrNO₂
  • Molecular Weight 218.05
  • Synonym(s) Methyl 5-Bromo-1-methylpyrrole-2-carboxylate
  • SMILES CN1C(=CC=C1Br)C(=O)OC

Synthesis

  • Route1

    References

    • MERCK SHARP and DOHME CORP.; LU, Zhijian; CHEN, Yi-Heng; SMITH, Cameron; LI, Hong; THOMPSON, Christopher, F.; SWEIS, Ramzi; SINCLAIR, Peter; KALLASHI, Florida; HUNT, Julianne; ADAMSON, Samantha, E.; DONG, Guizhen; ONDEYKA, Debra, L.; QIAN, Xiaoxia; SUN, Wanying; VACHAL, Petr; ZHAO, Kake Patent: WO2012/58187 A1, 2012 ; Location in patent: Page/Page column 64 ; WO 2012/058187 A1
  • Route2

    References

    • Piotrowski, David W.; Myers, Jason K.; Rogers, Bruce N.; Jacobsen, Eric Jon; Bodnar, Alice L.; Groppi JR., Vincent E.; Walker, Daniel Patrick; Acker, Brad A. Patent: US2003/207913 A1, 2003 ;

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330

Quality Control

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Computational Chemistry Data

  • TPSA   31.23
  • LogP   1.5742
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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