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1-(2-amino-2-oxoethyl)-4-methylpyridinium, also known as Betaine aldehyde, is a pyridinium class chemical derivative of pyridine with an additional amino and oxoethyl group, as well as a methyl substituent. It is a versatile compound with a wide range of applications in organic chemistry and related industries.

78572-45-9

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78572-45-9 Usage

Uses

Used in Pharmaceutical and Agrochemical Synthesis:
1-(2-amino-2-oxoethyl)-4-methylpyridinium is used as an intermediate for the synthesis of various pharmaceuticals and agrochemicals. Its unique chemical structure allows it to be a key component in the development of new drugs and agricultural products, contributing to advancements in healthcare and agriculture.
Used in Chemical Reactions:
As a reagent, 1-(2-amino-2-oxoethyl)-4-methylpyridinium plays a crucial role in facilitating specific chemical reactions. Its participation in these reactions can lead to the formation of desired products with high efficiency and selectivity, making it a valuable tool in the field of organic chemistry.
Used in Specialty Chemicals Production:
1-(2-amino-2-oxoethyl)-4-methylpyridinium is also utilized as a component in the production of specialty chemicals. These specialty chemicals can have various applications, such as additives, coatings, or materials with unique properties, further expanding the utility of this versatile compound.

Check Digit Verification of cas no

The CAS Registry Mumber 78572-45-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,8,5,7 and 2 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 78572-45:
(7*7)+(6*8)+(5*5)+(4*7)+(3*2)+(2*4)+(1*5)=169
169 % 10 = 9
So 78572-45-9 is a valid CAS Registry Number.

78572-45-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-methylpyridin-1-ium-1-yl)acetamide,chloride

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:78572-45-9 SDS

78572-45-9Downstream Products

78572-45-9Relevant academic research and scientific papers

In Situ Assembly of Choline Acetyltransferase Ligands by a Hydrothiolation Reaction Reveals Key Determinants for Inhibitor Design

Wiktelius, Daniel,Allgardsson, Anders,Bergstr?m, Tomas,Hoster, Norman,Akfur, Christine,Forsgren, Nina,Lejon, Christian,Hedenstr?m, Mattias,Linusson, Anna,Ekstr?m, Fredrik

supporting information, p. 813 - 819 (2020/12/09)

The potential drug target choline acetyltransferase (ChAT) catalyses the production of the neurotransmitter acetylcholine in cholinergic neurons, T-cells, and B-cells. Herein, we show that arylvinylpyridiniums (AVPs), the most widely studied class of ChAT inhibitors, act as substrate in an unusual coenzyme A-dependent hydrothiolation reaction. This in situ synthesis yields an adduct that is the actual enzyme inhibitor. The adduct is deeply buried in the active site tunnel of ChAT and interactions with a hydrophobic pocket near the choline binding site have major implications for the molecular recognition of inhibitors. Our findings clarify the inhibition mechanism of AVPs, establish a drug modality that exploits a target-catalysed reaction between exogenous and endogenous precursors, and provide new directions for the development of ChAT inhibitors with improved potency and bioactivity.

Experimental and quantum chemical evidences for C-H···N hydrogen bonds involving quaternary pyridinium salts and pyridinium ylides

Dega-Szafran,Schroeder,Szafran,Szwajca,L?ska,Lewandowska

, p. 31 - 42 (2007/10/03)

The rates of equilibrium of eight quaternary pyridinium salts containing activated methylene groups with the corresponding ylides have been measured in DMSO solution containing strong bases (DBU, MTBD and P1-tBu). The effect of the ring substituents on th

Preparation of Tetrahydroindolizines from Pyridinuim and Isoquinolinium Ylides

Katritzky, Alan R.,Grzeskowiak, Nicholas E.,Alvarez-Builla, Julio

, p. 1180 - 1185 (2007/10/02)

Carbonyl- and nitrile-stabilised pyridinium and cyclic azonium methylides condense with chalcones to form tetrahydroindolizines and analogous fused pyrrolidines.The stereochemistry is illuminated by 13C and 1H n.m.r. spectroscopy.Several incorrect literature structures are rectified.

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