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6-Acetylpyridine-2-carboxylic acid ethyl ester is a versatile chemical compound derived from pyridine, featuring an acetyl group and an ethyl ester group. It is recognized for its chelating capabilities, enabling the formation of complexes with metal ions, and serves as a crucial building block in organic synthesis and a reagent in various chemical reactions. 6-Acetylpyridine-2-carboxylic acid ethyl ester holds significant value across pharmaceutical and industrial applications due to its unique properties.

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  • 114578-70-0 Structure
  • Basic information

    1. Product Name: 6-Acetylpyridine-2-carboxylic acid ethyl ester
    2. Synonyms: 6-Acetylpyridine-2-carboxylic acid ethyl ester;ethyl 6-acetylpyridine-2-carboxylate;6-ACETYL-PICOLINIC ACID ETHYL ESTER;Ethyl 6-acetyl-2-pyridinecarboxylate;ethyl 6-acetylpicolinate;2-Pyridinecarboxylic acid, 6-acetyl-, ethyl ester
    3. CAS NO:114578-70-0
    4. Molecular Formula: C10H11NO3
    5. Molecular Weight: 193.19924
    6. EINECS: N/A
    7. Product Categories: Esters;Pyridines
    8. Mol File: 114578-70-0.mol
  • Chemical Properties

    1. Melting Point: 50.0-51.5 °C
    2. Boiling Point: 329.615 °C at 760 mmHg
    3. Flash Point: 153.146 °C
    4. Appearance: /
    5. Density: 1.146 g/cm3
    6. Vapor Pressure: 0mmHg at 25°C
    7. Refractive Index: 1.514
    8. Storage Temp.: 2-8°C
    9. Solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
    10. PKA: 0.97±0.10(Predicted)
    11. CAS DataBase Reference: 6-Acetylpyridine-2-carboxylic acid ethyl ester(CAS DataBase Reference)
    12. NIST Chemistry Reference: 6-Acetylpyridine-2-carboxylic acid ethyl ester(114578-70-0)
    13. EPA Substance Registry System: 6-Acetylpyridine-2-carboxylic acid ethyl ester(114578-70-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 114578-70-0(Hazardous Substances Data)

114578-70-0 Usage

Uses

Used in Pharmaceutical Manufacturing:
6-Acetylpyridine-2-carboxylic acid ethyl ester is utilized as an intermediate in the synthesis of various pharmaceuticals, contributing to the development of new drugs and medicines. Its ability to chelate metal ions aids in enhancing the stability and efficacy of certain pharmaceutical formulations.
Used in Industrial Applications:
In the industrial sector, 6-Acetylpyridine-2-carboxylic acid ethyl ester is employed as a key component in the production of specialty chemicals, agrochemicals, and other related products. Its versatility in forming complexes with metal ions makes it suitable for use in catalysts and other industrial processes.
Used in Organic Synthesis:
As a building block in organic synthesis, 6-Acetylpyridine-2-carboxylic acid ethyl ester is used for the preparation of a wide range of organic compounds, including complex molecules and functional groups. Its reactivity and structural features make it a valuable component in the synthesis of various organic molecules.
Used as a Reagent in Chemical Reactions:
6-Acetylpyridine-2-carboxylic acid ethyl ester serves as a reagent in numerous chemical reactions, facilitating the formation of desired products and improving the efficiency of these processes. Its ability to participate in various reaction mechanisms makes it a useful tool in the field of chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 114578-70-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,4,5,7 and 8 respectively; the second part has 2 digits, 7 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 114578-70:
(8*1)+(7*1)+(6*4)+(5*5)+(4*7)+(3*8)+(2*7)+(1*0)=130
130 % 10 = 0
So 114578-70-0 is a valid CAS Registry Number.
InChI:InChI=1/C10H11NO3/c1-3-14-10(13)9-6-4-5-8(11-9)7(2)12/h4-6H,3H2,1-2H3

114578-70-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name ethyl 6-acetylpyridine-2-carboxylate

1.2 Other means of identification

Product number -
Other names 2-acetyl-6-dicarbethoxypyridine

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:114578-70-0 SDS

114578-70-0Relevant articles and documents

Copper(ii)-hydroxide facilitated C-C bond formation: The carboxamido pyridine system: Versus the methylimino pyridine system

Fan, Weibin,Huang, Deguang,Li, Yinghua,Xiang, Shiqun,Xie, Xingkun,Zhang, Zilong

, p. 12189 - 12196 (2020/10/02)

A copper(ii)-hydroxide-induced carbon-carbon bond formation reaction is explored with the synthesis of an asymmetric carboxamido-methylimino pyridine Cu(i) complex of [CuI(py(N-CO)(NC-C)ph2Me2)2]- (12). Two imine-methyl groups are coupled to form a bridge

Microwave-promoted syntheses of pyridine carboxamides and tert-carboximides from novel 6-acetylpyridine-2-carboxylic acid

Su, Biyun,Zhao, Jianshe,Zhang, Qunzheng,Qin, Wenlong

experimental part, p. 4429 - 4440 (2010/05/01)

A novel 6-acetylpyridine-2-carboxylic acid (4) was obtained occasionally during the synthesis of asymmetric ethyl 6-acetylpyridine-2-carboxylate (3) from 2,6-dipiclinic acid (1). Compounds 3 and 4 could transform mutually under some specific conditions. T

Two novel microwave-promoted reactions between ethyl 6-acetylpyridine-2- carboxylate and aromatic amine/aliphatic amine

Su, Biyun,Zhao, Jianshe,Zhao, Peng

, p. 839 - 848 (2007/10/03)

The unsymmetric precursor ethyl 6-acetylpyridine-2-carboxylate (3) was synthesized from 2,6-dipiclinic acid (1). On the basis of this precursor, two distinctively different types of compounds were prepared by microwave irradiation under solvent-free condi

Controlled synthesis of 2-acetyl-6-carbethoxypyridine and 2,6-diacetylpyridine from 2,6-dimethylpyridine

Su, Biyun,Zhao, Jianshe,Cui, Yong,Liang, Yongqing,Sun, Wenhua

, p. 2317 - 2324 (2007/10/03)

The controlled syntheses of mono- and bis-acetylpyridine from the same starting material (2,6-dimethylpyridine) are reported, including the asymmetrical compound 2-acetyl-6-carbethoxypyridine, which has not before been reported. The influences of the amount of catalyst EtONa and the reaction conditions to the final products are also explored. A modification of the reported preparation for the 2,6-dipicolinic acid, 2,6-dicarbethoxypyridine and 2,6-diacetylpyridine with higher purity and improved yields is provided here, and the physical and spectral properties of these products are identical to those reported in the literature. Copyright Taylor & Francis, Inc.

Formation of 2-Acetylpyridines by the Base-catalysed Ring Opening of Dihydro-4H-furooxazines

Gilchrist, Thomas L.,Hughes, Deborah,Stretch, Wayne,Chrystal, Ewan J. T.

, p. 2505 - 2510 (2007/10/02)

Furo-oxazines (1), which were formed by the addition of nirtrosoalkenes to 2,5-dimethylfuran or 2-methylfuran, reacted with 1,8-diazabicycloundec-7-ene (DBU) to give 2-acetylpyridines (2).The reaction is postulated to involve an initial base-cataly

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