61357-76-4

Basic information

• Product Name: 4-BROMOANILINE-2,3,5,6-D4
• Synonyms: 4-BROMOANILINE-2,3,5,6-D4
• CAS NO: 61357-76-4
• Molecular Formula: C₆H₆BrN
• Molecular Weight: 176.05
• Product Categories: Amines, Aromatics, Intermediates, Miscellanous Reagents
• Mol File: 61357-76-4.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-BROMOANILINE-2,3,5,6-D4(CAS DataBase Reference)
• NIST Chemistry Reference: 4-BROMOANILINE-2,3,5,6-D4(61357-76-4)
• EPA Substance Registry System: 4-BROMOANILINE-2,3,5,6-D4(61357-76-4)

Safety Data

• Hazardous Substances Data: 61357-76-4(Hazardous Substances Data)

Usage

Description

4-BROMOANILINE-2,3,5,6-D4 is a brominated aniline, which is a type of organic compound that has a bromine atom attached to the aniline structure. It is characterized by its unique chemical properties and isotope labeling, which makes it a valuable compound for various applications in the pharmaceutical and chemical industries.

Uses

Used in Pharmaceutical Industry:
4-BROMOANILINE-2,3,5,6-D4 is used as a building block for the synthesis of pharmaceutical compounds. Its incorporation into drug molecules can enhance their stability, solubility, and overall efficacy. The presence of the bromine atom and deuterium labeling can also improve the pharmacokinetic and pharmacodynamic properties of the resulting drugs.
Used in Organic Chemistry:
In the field of organic chemistry, 4-BROMOANILINE-2,3,5,6-D4 serves as an essential intermediate for the preparation of various organic compounds. Its unique structure allows for further functionalization and modification, enabling the synthesis of a wide range of molecules with diverse applications, such as dyes, pigments, and other specialty chemicals.
Used in Research and Development:
4-BROMOANILINE-2,3,5,6-D4 is also utilized in research and development for the study of chemical reactions and mechanisms. Its deuterium labeling makes it an ideal candidate for investigating reaction kinetics, isotope effects, and other fundamental aspects of chemical processes. 4-BROMOANILINE-2,3,5,6-D4 can be used to gain insights into the behavior of similar molecules and to develop new synthetic strategies and methodologies.

Upstream product

• 4165-61-1 aniline-d5 
• 106-40-1 4-bromo-aniline 

Downstream Products

• 1331866-32-0 4-amino-2,3,5,6-tetradeuterobenzonitrile 
• 1331866-34-2 2,3,5,6-tetradeutero-4-((4-hydroxypyrimidin-2-yl)amino)benzonitrile 
• 1331866-35-3 2,3,5,6-tetradeutero-4-((4-chloropyrimidin-2-yl)amino)benzonitrile 
• 1331866-36-4 4-((4-((4-bromo-3,5-dideutero-2,6-bis(trideuteromethyl)phenyl)amino)pyrimidin-2-yl)amino)-2,3,5,6-tetradeuterobenzonitrile 
• 1331866-84-2 (E)-2,3,5,6-tetradeutero-4-((4-((3,5-dideutero-4-(1,2-dideutero-2-cyanovinyl)-2,6-bis(trideuteromethyl)phenyl)-amino)pyrimidin-2-yl)amino)benzonitrile 

Relevant articles and documents

Selective Gas Uptake and Rotational Dynamics in a (3,24)-Connected Metal-Organic Framework Material

The desolvated (3,24)-connected metal-organic framework (MOF) material, MFM-160a, [Cu3(L)(H2O)3] [H6L = 1,3,5-triazine-2,4,6-tris(aminophenyl-4-isophthalic acid)], exhibits excellent high-pressure uptake of CO2 (110 wt% at 20 bar, 298 K) and highly selective separation of C2 hydrocarbons from CH4 at 1 bar pressure. Henry's law selectivities of 79:1 for C2H2:CH4 and 70:1 for C2H4:CH4 at 298 K are observed, consistent with ideal adsorption solution theory (IAST) predictions. Significantly, MFM-160a shows a selectivity of 16:1 for C2H2:CO2. Solid-state 2H NMR spectroscopic studies on partially deuterated MFM-160-d12 confirm an ultra-low barrier (～2 kJ mol-1) to rotation of the phenyl group in the activated MOF and a rotation rate 5 orders of magnitude slower than usually observed for solid-state materials (1.4 × 106 Hz cf. 1011-1013 Hz). Upon introduction of CO2 or C2H2 into desolvated MFM-160a, this rate of rotation was found to increase with increasing gas pressure, a phenomenon attributed to the weakening of an intramolecular hydrogen bond in the triazine-containing linker upon gas binding. DFT calculations of binding energies and interactions of CO2 and C2H2 around the triazine core are entirely consistent with the 2H NMR spectroscopic observations.

Hydrogen-deuterium exchange reactions of aromatic compounds and heterocycles by NaBD4-activated rhodium, platinum and palladium catalysts

Conventional thermal and microwave conditions were compared for hydrogen-deuterium (H/D) exchange reactions of aminobenzoic acids catalysed by NaBD4-activated Pd/C or RhCl3 with D2O as the deuterium source. We also investi