66148-15-0

Basic information

• Product Name: NICOTINIC-D4 ACID
• Synonyms: NICOTINIC-D4 ACID;NICOTINIC-D4 ACID, 98 ATOM % D;3-pyridine-d4-carboxylic acid;nicotinic acid-d4(ring-d4);3-Pyridine-d4-carboxylic acid, Niacin-d4 (ring-d4);3-Pyridinecarboxylic Acid-d4;Nicotinic Acid-d4;Niacin-d4 (Nicotinic Acid-d4)
• CAS NO: 66148-15-0
• Molecular Formula: C6HD4NO2
• Molecular Weight: 127.13
• Product Categories: Aromatics;Intermediates & Fine Chemicals;Isotope Labelled Compounds;Pharmaceuticals
• Mol File: 66148-15-0.mol

Chemical Properties

• Melting Point: 236-239 °C(lit.)
• Boiling Point: 292.5 °C at 760 mmHg
• Flash Point: 193℃
• Appearance: /
• Density: 1.335 g/cm³
• Vapor Pressure: 0.000836mmHg at 25°C
• Refractive Index: 1.57
• Storage Temp.: Refrigerator
• Solubility: DMSO (Slightly, Heated), Methanol (Slightly, Heated)
• CAS DataBase Reference: NICOTINIC-D4 ACID(CAS DataBase Reference)
• NIST Chemistry Reference: NICOTINIC-D4 ACID(66148-15-0)
• EPA Substance Registry System: NICOTINIC-D4 ACID(66148-15-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• Hazardous Substances Data: 66148-15-0(Hazardous Substances Data)

Usage

Uses

Used in Analytical Chemistry:
Nicotinic acid-(ring-d4) is used as an internal standard for the quantification of nicotinic acid in biological samples. It serves as a reference compound to improve the accuracy and precision of the measurement by gas chromatography-mass spectrometry (GC-MS). The use of this deuterated form helps to account for variations in sample preparation, ionization efficiency, and other factors that may affect the quantification process.
Used in Pharmaceutical Research:
Nicotinic acid-(ring-d4) is also used as a precursor for the preparation of N′-nitrosonornicotine-2,4,5,6-d4 derivative. This derivative is a deuterated analog of a known carcinogen, N′-nitrosonornicotine, and can be used in pharmaceutical research to study the metabolism, toxicity, and potential therapeutic interventions for tobacco-related diseases. The use of deuterated compounds in such studies allows for better tracking and analysis of the compound's behavior in biological systems.

InChI:InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i1D,2D,3D,4D

Upstream product

• 54-86-4 sodium nicotinate 
• 59-67-6 nicotinic acid 

Relevant articles and documents

H-D exchange reaction taking advantage of the synergistic effect of heterogeneous palladium and platinum mixed catalyst

An effective and applicable deuteration method for alkyl-substituted aromatic compounds using a heterogeneous Pd/C and Pt/C mixed catalyst in deuterium oxide in the presence of a small amount of hydrogen gas was developed. Mixing a heterogeneous palladium

General method of obtaining deuterium-labeled heterocyclic compounds using neutral D2O with heterogeneous Pd/C

A protocol of a versatile H-D exchange reaction of heterocyclic compounds catalyzed by heterogeneous Pd/C in D2O is described. The reaction of various nitrogen-containing heterocycles with 10% Pd/C (10 wt % of the substrate) under hydrogen atmosphere in D2O as a deuterium source at 110-180 °C for 24 h afforded the corresponding deuterated compounds with satisfactory efficiency of deuteration in moderate to excellent isolated yields. Furthermore, the Pd/C-H2-D2O system can be extended to the direct deuteration of biologically active compounds such as sulfamethazine, which is used as a synthetic antibacterial drug for fat stocks and would be applied as a general method for the preparation of the standard materials for the analysis of residual chemicals in foods and so on.

"DEUTERATED" RANEY NICKEL: DEUTERATION (REDUCTION) OF ALKENES, CARBONYL COMPOUNDS AND AROMATIC RINGS. PROTON-DEUTERIUM EXCHANGE OF "ACTIVATED" ALIPHATIC AND AROMATIC RING HYDROGENS.

In the absence of deuterium gas, the reaction of deuterated Raney nickel with benzene derivatives, carbonyl compounds, alkenes and activated methylene grops gave either fully deuterated (reduced) products or led to hydrogen-deuterium exchange.