Ethyl 2,4-dimethylnicotinate

Base Information

• Chemical Name: Ethyl 2,4-dimethylnicotinate
• CAS No.: 37669-78-6
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.219
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID40352974
• Wikidata: Q72474562
• Mol file: 37669-78-6.mol

Synonyms:ethyl 2,4-dimethylnicotinate;37669-78-6;ethyl 2,4-dimethylpyridine-3-carboxylate;3-Pyridinecarboxylic acid, 2,4-dimethyl-, ethyl ester;MFCD00051962;2,4-DIMETHYL-3-PYRIDINECARBOXLIC ACID ETHYL ESTER;ethyl2,4-dimethylnicotinate;2,4-Dimethylpyridine-3-carboxylic acid ethyl ester;SCHEMBL306569;AMY4876;DTXSID40352974;DIZHKKYVLBSXAW-UHFFFAOYSA-N;2,4-dimethyl-3-carboethoxypyridine;CL0003;3-Ethoxycarbonyl-2,4-dimethylpyridine;AKOS006228439;2,4-Dimethylnicotinic acid ethyl ester;CS-W017269;FS-2716;SB21144;2,4-dimethyl-nicotinic acid ethyl ester;AC-23228;SY020336;FT-0625891;J-520671

Chemical Property of Ethyl 2,4-dimethylnicotinate

Chemical Property:

• Vapor Pressure: 0.0447mmHg at 25°C
• Refractive Index: 1.4980
• Boiling Point: 237.5 °C at 760 mmHg
• PKA: 4.67±0.18(Predicted)
• Flash Point: 97.4 °C
• PSA: 39.19000
• Density: 1.056 g/cm³
• LogP: 1.87510
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2,4-dimethylpyridine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=CN=C1C)C
• Uses: It is employed in the design, synthesis, and evaluation of a family of propargyl pyridinyl ethers as potential cytochrome p450 inhibitors.

Technology Process of Ethyl 2,4-dimethylnicotinate

There total 10 articles about Ethyl 2,4-dimethylnicotinate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

ethyl-2-fluoroacetoacetate (1522-41-4) + crotonaldehyde (123-73-9,4170-30-3) → ethyl 2,4-dimethylnicotinate (37669-78-6)

Guidance literature:

With ammonium acetate; caesium carbonate; In acetonitrile; at 60 ℃; for 6h; regioselective reaction;

DOI:10.1021/acs.orglett.6b02883

Reference yield: 74.0%

ethyl 2,3-butadienoate (14369-81-4) + but-3-yn-1-amine (14044-63-4) → ethyl 2,4-dimethylnicotinate (37669-78-6)

Guidance literature:

With Au NCs/TiO₂; In toluene; at 110 ℃; for 16h;

DOI:10.1002/adsc.201901451

Reference yield: 60.0%

2,4-dimethyl-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester (52199-37-8) → ethyl 2,4-dimethylnicotinate (37669-78-6)

Guidance literature:

upstream raw materials:

2,4-dimethyl-1,4-dihydro-pyridine-3-carboxylic acid ethyl ester

1-amino-1-buten-3-one

ethyl acetoacetate

2,4,6-Trimethyl-[1,3,5]triazinane; hydrate

Downstream raw materials:

3-Acetyl-2,4-dimethylpyridin

2,4-dimethylnicotinic acid

(2,4-dimethylpyridin-3-yl)-methanol

4,4',6,6'-tetramethyl-5,5'-bis[(S)-(-)-1-phenylethylcarbamoyl]-2,2'-bipyridine