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Methyl 7-aminobenzo[b]thiophene-2-carboxylate

  • CAS No. 616238-78-9

  • Cat. No. CS-0148778
  • Purity≥96%
  • MDL No.MFCD13180847

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

Methyl 7-aminobenzo[b]thiophene-2-carboxylate|CS-0148778

Structure of 616238-78-9

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General Information

  • CAS No. 616238-78-9
  • Cat. No. CS-0148778
  • Purity ≥96%
  • MDL No. MFCD13180847
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂S
  • Molecular Weight 207.25
  • Synonym(s) Benzo[b]thiophene-2-carboxylic acid, 7-amino-, methyl ester (9CI)
  • SMILES O=C(C1=CC2=CC=CC(N)=C2S1)OC

Synthesis

  • Route1

    References

    • Boehringer Ingelheim Pharmaceuticals, Inc. Patent: US2003/225053 A1, 2003 ; Location in patent: Page 28 ;
  • Route2

    References

    • Goldberg, Daniel R.; Hao, Ming-Hong; Qian, Kevin C.; Swinamer, Alan D.; Gao, Donghong A.; Xiong, Zhaoming; Sarko, Chris; Berry, Angela; Lord, John; Magolda, Ronald L.; Fadra, Tazmeen; Kroe, Rachel R.; Kukulka, Alison; Madwed, Jeffrey B.; Martin, Leslie; Pargellis, Christopher; Skow, Donna; Song, Jinhua J.; Tan, Zhulin; Torcellini, Carol A.; Zimmitti, Clare S.; Yee, Nathan K.; Moss, Neil Journal of Medicinal Chemistry, 2007 , vol. 50, # 17 p. 4016 - 4026

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H227-H301+H311+H331-H315-H318
Precautionary Statements : P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P370+P378-P403-P405-P501

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Computational Chemistry Data

  • TPSA   52.32
  • LogP   2.2701
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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