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(methyl-d3)boronic Acid丨CAS 1332481-37-4

(methyl-d3)boronic Acid丨CAS 1332481-37-4
Product Introduction:
CAS No.: 1332481-37-4
Product Name: (methyl-d3)boronic acid
Molecular Formula: CH5BO2
Molecular Weight: 62.88
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Technical Parameters
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(Methyl-d3)boronic acid, also known as deuterated methylboronic acid, is an isotopically labeled organoboron compound in which the three hydrogen atoms of the methyl group are replaced by deuterium. Its boronic acid functionality makes it a useful building block for specialized organic synthesis and isotope-labeling research. The combination of a deuterated methyl group and a reactive boron center supports the preparation of labeled molecules and the investigation of chemical transformations involving organoboron compounds.

 

Chemical Identifiers

 

InChI InChI=1S/CH5BO2/c1-2(3)4/h3-4H,1H3/i1D3
InChI Key KTMKRRPZPWUYKK-FIBGUPNXSA-N
Smiles [2H]C([2H])([2H])B(O)O
EC No.  
MDL No. MFCD12761137
PubChem CID 45788492

 

 

 

Applications

 

Isotope Effect and Mechanistic Studies

The three deuterium atoms provide a defined isotopic label on the methyl group. Researchers can use this feature to investigate kinetic isotope effects, reaction mechanisms, and the behavior of methyl-containing compounds during chemical transformations.

Pharmaceutical Research and Drug Discovery

Deuterium-labeled building blocks are valuable in medicinal chemistry for preparing isotopically modified analogues and investigating their molecular properties. (Methyl-d3)boronic acid may support the synthesis of deuterated pharmaceutical intermediates and research compounds, depending on the target structure and synthetic route.

Organic Synthesis and Deuterated Building Blocks

(Methyl-d3)boronic acid provides a source of a deuterated methyl group for selected synthetic applications. It can be used in suitable organoboron transformations to introduce isotopic labeling into target molecules, supporting the preparation of deuterated organic compounds and specialized synthetic intermediates.

Cross-Coupling Chemistry

Organoboron compounds are widely used in transition-metal-catalyzed carbon–carbon bond-forming reactions. Depending on the reaction system and substrate, (methyl-d3)boronic acid may serve as a reagent in transformations that introduce a CD3-containing carbon fragment into more complex molecular structures.

 

 

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