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CS-W001157 4
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tert-Butyl 2-(hydroxymethyl)indoline-1-carboxylate

  • CAS No. 172647-87-9

  • Cat. No. CS-0091668
  • Molecule weight249.31
  • Purity≥95%
  • MDL No.MFCD06411549

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

tert-Butyl 2-(hydroxymethyl)indoline-1-carboxylate|CS-0091668

Structure of 172647-87-9

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General Information

  • CAS No. 172647-87-9
  • Cat. No. CS-0091668
  • Purity ≥95%
  • MDL No. MFCD06411549
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉NO₃
  • Molecular Weight 249.31
  • Synonym(s) tert-Butyl 2-(hydroxymethyl)-1-indolinecarboxylate
  • SMILES O=C(N1C(CO)CC2=C1C=CC=C2)OC(C)(C)C

Synthesis

  • Route1

    References

    • Lee, Sunkyung; Yi, Kyu Yang; Kim, Soo-Kyung; Suh, Jeehee; Kim, Nak Jeong; Yoo, Sung-Eun; Lee, Byung Ho; Seo, Ho Won; Kim, Sun-Ok; Lim, Hong European Journal of Medicinal Chemistry, 2003 , vol. 38, # 5 p. 459 - 471
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 61, # 8 p. 2897 - 2900
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 61, # 8 p. 2897 - 2900

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   49.77
  • LogP   2.3451
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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