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CS-W001157 4
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Ethyl 2-oxocyclohexanecarboxylate

  • CAS No. 1655-07-8

  • Cat. No. CS-M0078
  • Purity≥95%
  • MDL No.MFCD00001631

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

Ethyl 2-oxocyclohexanecarboxylate|CS-M0078

Structure of 1655-07-8

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General Information

  • CAS No. 1655-07-8
  • Cat. No. CS-M0078
  • Purity ≥95%
  • MDL No. MFCD00001631
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₃
  • Molecular Weight 170.21
  • Synonym(s) None
  • SMILES O=C(OCC)C(CCCC1)C1=O

Description

tert-Butyl Hydrogen Tetradecanedioate is a short linker featuring a carboxylic acid and a tert-butyl ester. Carboxylic acids can be reacted with alcohols or amines, while the tert-butyl ester can be selectively deprotected to allow for reactivity as a carboxylic acid to form esters or amides.

Synthesis

  • Route1

    References

    • Pei, Tao; Widenhoefer, Ross A. Chemical Communications, 2002 , # 6 p. 650 - 651
  • Route2
    • null|null
      108-94-1
    • null|null
      105-58-8
    • ~79%
    • In-stock
      Ethyl 2-oxocyclohexanecarboxylate|CS-M0078
      1655-07-8

    References

    • IMPACT THERAPEUTICS, INC.; CAI, Suixiong; TIAN, Ye Edward; WU, Lizhen; LIU, Lijun; WANG, Xiaozhu; JIANG, Yangzhen; WANG, Guoxiang; ZHANG, Xiuyan; XU, Qingbing; MENG, Zheng Patent: WO2013/64083 A1, 2013 ; Location in patent: Page/Page column 23 ;
  • Route3

    References

    • Luche, J.L.; Petrier, C.; Dupuy, C. Tetrahedron Letters, 1984 , vol. 25, # 7 p. 753 - 756

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.3088
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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