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CS-W001157 4
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((1S,3S,4S)-3-Bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid hydrate

  • CAS No. 209736-59-4

  • Cat. No. CS-W021054
  • Purity≥98%
  • MDL No.MFCD00167452

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

((1S,3S,4S)-3-Bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid hydrate|CS-W021054

Structure of 209736-59-4

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General Information

  • CAS No. 209736-59-4
  • Cat. No. CS-W021054
  • Purity ≥98%
  • MDL No. MFCD00167452
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₇BrO₅S
  • Molecular Weight 329.21
  • Synonym(s) D-3-Bromocamphor-10-Sulfonic Acid Monohydrate
  • SMILES O=S(C[C@@]1(C2(C)C)C([C@@H](Br)[C@@]2([H])CC1)=O)(O)=O.[H]O[H]

Description

This bicyclic methanesulfonic acid derivative features a sterically encumbered bromo-ketone scaffold with enhanced stability under standard conditions. The hydrate form improves handling and solubility in aqueous media, enabling efficient integration into synthetic sequences requiring electrophilic functionality.

Application

((1S,3S,4S)-3-Bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid hydrate serves as a versatile bicyclic building block for stereoselective synthesis, leveraging its rigid cyclohexane scaffold and orthogonal functional groups. The methanesulfonate ester enables efficient displacement reactions, while the α-bromo ketone functionality supports nucleophilic addition and metal-catalyzed transformations. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for iterative synthetic sequences in complex molecule assembly.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   102.94
  • LogP   0.8183
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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