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CS-W001157 4
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Methyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate

  • CAS No. 1011717-00-2

  • Cat. No. CS-0554369
  • Purity≥98%
  • MDL No.None

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

Methyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate|CS-0554369

Structure of 1011717-00-2

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General Information

  • CAS No. 1011717-00-2
  • Cat. No. CS-0554369
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₀ClN₃O₂
  • Molecular Weight 287.70
  • Synonym(s) Benzoic acid, 4-(4-chloro-7H-pyrrolo[2,3-d]pyriMidin-6-yl)-, Methyl ester
  • SMILES COC(=O)C1=CC=C(C=C1)C2=CC3=C(N2)N=CN=C3Cl

Synthesis

  • Route1
    • Methyl 4-(4-oxo-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate|CS-0683788
      1011716-97-4
    • ~90%
    • Methyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate|CS-0554369
      1011717-00-2

    References

    • ADVINUS THERAPEUTICS LIMITED; THAKKAR, Mahesh; KOUL, Summon; BHUNIYA, Debnath; MOOKHTIAR, Kasim; KURHADE, Santosh; MUNOT, Yogesh Patent: WO2013/157022 A1, 2013 ; Location in patent: Page/Page column 70-71 ;
  • Route2

    References

    • ADVINUS THERAPEUTICS LIMITED; THAKKAR, Mahesh; KOUL, Summon; BHUNIYA, Debnath; MOOKHTIAR, Kasim; KURHADE, Santosh; MUNOT, Yogesh Patent: WO2013/157022 A1, 2013 ;
  • Route3
    • Ethyl 2-amino-5-(4-(methoxycarbonyl)phenyl)-1h-pyrrole-3-carboxylate|CS-0683787
      1011716-95-2
    • ~%
    • Methyl 4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)benzoate|CS-0554369
      1011717-00-2

    References

    • ADVINUS THERAPEUTICS LIMITED; THAKKAR, Mahesh; KOUL, Summon; BHUNIYA, Debnath; MOOKHTIAR, Kasim; KURHADE, Santosh; MUNOT, Yogesh Patent: WO2013/157022 A1, 2013 ; Title/Abstract Full Text Show Details ADVINUS THERAPEUTICS LIMITED; THAKKAR, Mahesh; KOUL, Summon; BHUNIYA, Debnath; SINGH, Umesh Patent: WO2013/157021 A1, 2013 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   67.87
  • LogP   3.0649
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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