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CS-W001157 4
Total: USD 88.00

2,2-Dimethylvaleric acid

  • CAS No. 1185-39-3

  • Cat. No. CS-0205424
  • Molecule weight130.18
  • Purity≥98%
  • MDL No.MFCD00021686

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

2,2-Dimethylvaleric acid|CS-0205424

Structure of 1185-39-3

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General Information

  • CAS No. 1185-39-3
  • Cat. No. CS-0205424
  • Purity ≥98%
  • MDL No. MFCD00021686
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₄O₂
  • Molecular Weight 130.18
  • Synonym(s) Dimethylvalericacid
  • SMILES O=C(O)C(C)(C)CCC

Description

2,2-Dimethylvaleric acid features a sterically hindered aliphatic chain with a terminal carboxylic acid group, enabling stable incorporation into synthetic intermediates. This robust scaffold resists decarboxylation and facilitates controlled functionalization under standard conditions.

Application

2,2-Dimethylvaleric acid serves as a valuable building block in synthetic organic chemistry, offering enhanced steric hindrance due to its quaternary α-carbon. It functions as a robust precursor for bioactive molecule synthesis, particularly in the development of sterically congested carboxylic acid derivatives. The compound exhibits good bench stability and facilitates efficient transformations in esterification, amidation, and decarboxylation reactions, making it well-suited for medicinal chemistry and process-scale applications.

Synthesis

  • Route1
    • null|null
      592-41-6
    • null|null
      201230-82-2
    • ~55%
    • In-stock
      2-Ethyl-2-methylbutanoic acid|CS-0217822
      19889-37-3
    • In-stock
      2,2-Dimethylvaleric acid|CS-0205424
      1185-39-3

    References

    • Journal of Organic Chemistry, , vol. 65, # 5 p. 1540 - 1543
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 64, # 17 p. 6306 - 6311
  • Route3
    • null|null
      75-85-4
    • null|null
      201230-82-2
    • ~0%
    • In-stock
      Dimebutic acid|CS-W016597
      595-37-9
    • In-stock
      2,2-Dimethylvaleric acid|CS-0205424
      1185-39-3

    References

    • Mori, Hajime; Wada, Aya; Xu, Qiang; Souma, Yoshie Chemistry Letters, 2000 , # 2 p. 136 - 137

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   1.8973
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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