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CS-W001157 4
Total: USD 88.00

Methyl 2-(6-hydroxybenzofuran-3-yl)acetate

  • CAS No. 726174-52-3

  • Cat. No. CS-M1213
  • Purity≥95%
  • MDL No.MFCD24344345

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

Methyl 2-(6-hydroxybenzofuran-3-yl)acetate|CS-M1213

Structure of 726174-52-3

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General Information

  • CAS No. 726174-52-3
  • Cat. No. CS-M1213
  • Purity ≥95%
  • MDL No. MFCD24344345
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₄
  • Molecular Weight 206.19
  • Synonym(s) (6-HYDROXY-BENZOFURAN-3-YL)-ACETIC ACID METHYL ESTER
  • SMILES O=C(OC)CC1=COC2=CC(O)=CC=C12

Synthesis

  • Route1

    References

    • Negoro, Nobuyuki; Sasaki, Shinobu; Ito, Masahiro; Kitamura, Shuji; Tsujihata, Yoshiyuki; Ito, Ryo; Suzuki, Masami; Takeuchi, Koji; Suzuki, Nobuhiro; Miyazaki, Junichi; Santou, Takashi; Odani, Tomoyuki; Kanzaki, Naoyuki; Funami, Miyuki; Tanaka, Toshimasa; Yasuma, Tsuneo; Momose, Yu Journal of Medicinal Chemistry, 2012 , vol. 55, # 4 p. 1538 - 1552
  • Route2

    References

    • ELI LILLY AND COMPANY Patent: WO2004/63155 A1, 2004 ; Location in patent: Page 86 ; WO 2004/063155 A1
  • Route3

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; ECKHARDT, Matthias; FRATTINI, Sara; LANGKOPF, Elke; WAGNER, Holger Patent: US2014/163025 A1, 2014 ; Location in patent: Page/Page column ;

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-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   59.67
  • LogP   1.8539
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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