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CS-W001157 4
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Ethyl 5-Boc-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate

  • CAS No. 623564-30-7

  • Cat. No. CS-0054699
  • Purity≥97%
  • MDL No.MFCD09263986

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

Ethyl 5-Boc-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate|CS-0054699

Structure of 623564-30-7

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General Information

  • CAS No. 623564-30-7
  • Cat. No. CS-0054699
  • Purity ≥97%
  • MDL No. MFCD09263986
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₁NO₄S
  • Molecular Weight 311.40
  • Synonym(s) 5-tert-butyl 2-ethyl 6,7-dihydrothieno[3,2-c]pyridine-2,5(4H)-dicarboxylate
  • SMILES O=C(C(S1)=CC2=C1CCN(C(OC(C)(C)C)=O)C2)OCC

Synthesis

  • Route1

    References

    • GRUeNENTHAL GMBH Patent: WO2009/124746 A1, 2009 ; Location in patent: Page/Page column 125 ;
  • Route2
    • null|null
      79099-07-3
    • null|null
      623-51-8
    • ~%
    • Ethyl 5-Boc-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate|CS-0054699
      623564-30-7

    References

    • US2010/99664 A1, ; Page/Page column 32 ; US 20100099664 A1
  • Route3
    • null|null
      885275-20-7
    • null|null
      623-51-8
    • ~36%
    • Ethyl 5-Boc-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylate|CS-0054699
      623564-30-7

    References

    • ORCHID RESEARCH LABORATORIES LTD; RAJAGOPAL, Sridharan; KILAMBI, Narasimhan; KACHHADIA, Virendra; RATHINASAMY, Suresh; BALASUBRAMANIAN, Gopalan; MANI, Umamaheswari; RAJAGOPALAN, Nirmala; PUSHPARAJ, Judy Auxcilia; ROY, Anshu Mittal; VISHWAKARMA, Lolaknath Santosh; NARAYANAN, Shridhar; KALIYAMOORTHY, Vadivel; THANASEKARAN, Ponpandian; THATAVARTHY KRISHNA, Rama; KANNAN, Kalaivani; KULATHINGAL, Jayanarayan; MOOKKAN, Jeyamurugan; CHIDAMBARAM VENKATESWARAN, Srinivasan; AHAMED ALI, Fakrudeen Patent: WO2012/117421 A1, 2012 ; Location in patent: Page/Page column 39-40 ; WO 2012/117421 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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.84
  • LogP   3.218
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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