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

Name: ((1S,3S,4S)-3-Bromo-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid hydrate
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CAS No. 209736-59-4
Cat. No. CS-W021054
Purity≥98%
MDL No.MFCD00167452

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((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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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.

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]

Computational Chemistry Data

TPSA 102.94
LogP 0.8183
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 2

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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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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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

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