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CS-W001157 4
Total: USD 88.00

2,2'-(Cyclobutane-1,1-diyl)diacetic acid

  • CAS No. 1075-98-5

  • Cat. No. CS-0440757
  • Purity≥98%
  • MDL No.None

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

2,2'-(Cyclobutane-1,1-diyl)diacetic acid|CS-0440757

Structure of 1075-98-5

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General Information

  • CAS No. 1075-98-5
  • Cat. No. CS-0440757
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₄
  • Molecular Weight 172.18
  • Synonym(s) 1,1-Cyclobutanediacetic acid
  • SMILES C1CC(C1)(CC(=O)O)CC(=O)O

Synthesis

  • Route1
    • (1-Cyanomethylcyclobutyl)acetonitrile|CS-0745679
      1073-90-1
    • ~48%
    • 2,2'-(Cyclobutane-1,1-diyl)diacetic acid|CS-0440757
      1075-98-5

    References

    • ENSEMBLE THERAPEUTICS CORPORATION; TAYLOR, Michael; TERRETT, Nicholas, K.; CONNORS, William, H.; SHORTSLEEVES, Kelley, C.; SEIGAL, Benjamin, A.; SNEDEKER, Cheri; HALE, Stephen, P.; BRIGGS, Timothy, F.; FAVALORO, Frank, G.; CIPRIANI, Tyler, J.; YAN, Dingxue; ALEXANDER, Sethu, L.; THORARENSEN, Atli; XING, Li Patent: WO2013/116682 A1, 2013 ; Location in patent: Paragraph 002111 ;
  • Route2

    References

    • ENSEMBLE THERAPEUTICS CORPORATION; TAYLOR, Michael; TERRETT, Nicholas, K.; CONNORS, William, H.; SHORTSLEEVES, Kelley, C.; SEIGAL, Benjamin, A.; SNEDEKER, Cheri; HALE, Stephen, P.; BRIGGS, Timothy, F.; FAVALORO, Frank, G.; CIPRIANI, Tyler, J.; YAN, Dingxue; ALEXANDER, Sethu, L.; THORARENSEN, Atli; XING, Li Patent: WO2013/116682 A1, 2013 ;
  • Route3
    • Cyclobutane-1,1-diylbis(methylene) bis(4-methylbenzenesulfonate)|CS-0505881
      22308-09-4
    • ~%
    • 2,2'-(Cyclobutane-1,1-diyl)diacetic acid|CS-0440757
      1075-98-5

    References

    • ENSEMBLE THERAPEUTICS CORPORATION; TAYLOR, Michael; TERRETT, Nicholas, K.; CONNORS, William, H.; SHORTSLEEVES, Kelley, C.; SEIGAL, Benjamin, A.; SNEDEKER, Cheri; HALE, Stephen, P.; BRIGGS, Timothy, F.; FAVALORO, Frank, G.; CIPRIANI, Tyler, J.; YAN, Dingxue; ALEXANDER, Sethu, L.; THORARENSEN, Atli; XING, Li Patent: WO2013/116682 A1, 2013 ;

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

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   1.1061
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   4

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