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1-Bromo-4-tert-butylbenzene-d4丨CAS 74768-89-1

1-Bromo-4-tert-butylbenzene-d4丨CAS 74768-89-1
Product Introduction:
CAS No.: 74768-89-1
Product Name: 1-Bromo-4-tert-butylbenzene-d4
Molecular Formula: C10H13Br
Molecular Weight: 217.14
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Technical Parameters
Description

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1-Bromo-4-tert-butylbenzene-d4 is a deuterium-labeled aromatic compound featuring a bromine substituent, a tert-butyl group, and four deuterium atoms on the benzene ring. Its combination of isotopic labeling and reactive bromine functionality makes it a useful building block for organic synthesis, isotope-labeling research, and the preparation of specialized aromatic derivatives. The tert-butyl group also provides steric and electronic characteristics that may be relevant to molecular design and synthetic studies.

 

Chemical Identifiers

 

InChI InChI=1S/C10H13Br/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3/i4D,5D,6D,7D
InChI Key XHCAGOVGSDHHNP-UGWFXTGHSA-N
Smiles [2H]C1=C(C(=C(C(=C1C(C)(C)C)[2H])[2H])Br)[2H]
EC No.  
MDL No.  
PubChem CID 162490385

 

 

 

Applications

 

Analytical Chemistry and Mass Spectrometry

Deuterated aromatic compounds can support isotope-labeling studies and analytical method development. 1-Bromo-4-tert-butylbenzene-d4 may serve as a synthetic precursor for labeled reference compounds or research materials used in suitable analytical workflows, including mass spectrometry.

Pharmaceutical Research and Drug Discovery

Deuterated aromatic intermediates can support the synthesis of isotopically labeled compounds for pharmaceutical research. 1-Bromo-4-tert-butylbenzene-d4 may be used in synthetic pathways to investigate molecular transformations, reaction mechanisms, and the behavior of labeled compounds during drug discovery.

Organic Synthesis and Chemical Research

The bromine substituent provides a reactive site for further functionalization, including suitable palladium-catalyzed cross-coupling reactions. Researchers can use this compound to introduce a deuterated, tert-butyl-substituted aromatic group into target molecules, supporting the preparation of structurally diverse organic compounds.

Materials Science

Substituted aromatic compounds are important building blocks in the development of functional organic molecules. This deuterated intermediate may support research into specialized materials and molecular structures where the tert-butyl group and isotopic substitution are relevant to the intended design.

 

 

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