Ethyl 2-methylpyrimidine-5-carboxylate

Base Information

• Chemical Name: Ethyl 2-methylpyrimidine-5-carboxylate
• CAS No.: 2134-38-5
• Molecular Formula: C₈H₁₀N₂O₂
• Molecular Weight: 166.18
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID40562450
• Nikkaji Number: J284.712D
• Wikidata: Q72476185
• Mol file: 2134-38-5.mol

Synonyms:ethyl 2-methylpyrimidine-5-carboxylate;2134-38-5;MFCD09863191;ETHYL 2-METHYL-5-PYRIMIDINECARBOXYLATE;5-Pyrimidinecarboxylic acid, 2-methyl-, ethyl ester;SCHEMBL2642000;DTXSID40562450;OTCUHRIIVIPBID-UHFFFAOYSA-N;AKOS005146373;ethyl-2-methylpyrimidine-5-carboxylate;DS-2102;PB32795;SY097583;AM20090188;CS-0045943;A15372;5-Pyrimidinecarboxylicacid,2-methyl-,ethyl ester

Chemical Property of Ethyl 2-methylpyrimidine-5-carboxylate

Chemical Property:

• Vapor Pressure: 0.039mmHg at 25°C
• Boiling Point: 240℃
• PKA: 0.25±0.22(Predicted)
• Flash Point: 99℃
• PSA: 52.08000
• Density: 1.13
• LogP: 0.96170
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-Methylpyrimidine-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CN=C(N=C1)C

Technology Process of Ethyl 2-methylpyrimidine-5-carboxylate

There total 4 articles about Ethyl 2-methylpyrimidine-5-carboxylate 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: 22.0%

2-(ethoxycarbonyl)-3-hydroxyacrolein (97430-37-0) + acetamidine (143-37-3) → ethyl 2-methylpyrimidine-5-carboxylate (2134-38-5)

Guidance literature:

With sodium ethanolate; In ethanol; for 4h; Heating;

Reference yield:

ethyl 3,3-diethoxypropanoate (10601-80-6) + acetamidine hydrochloride (124-42-5) + formic acid ethyl ester (109-94-4) → ethyl 2-methylpyrimidine-5-carboxylate (2134-38-5)

Guidance literature:

formic acid ethyl ester; With sodium hydride; In diethyl ether; at 0 ℃;

ethyl 3,3-diethoxypropanoate; In diethyl ether; at 0 ℃; for 48h;

acetamidine hydrochloride; In diethyl ether; at 20 ℃; for 24h;

Reference yield:

ethyl 2-formyl-3-oxopropanoate (80370-42-9) + acetamidine hydrochloride (124-42-5) → ethyl 2-methylpyrimidine-5-carboxylate (2134-38-5)

Guidance literature:

With sodium ethanolate; In ethanol; for 6h; Heating / reflux; Argon atmosphere;

upstream raw materials:

2-(ethoxycarbonyl)-3-hydroxyacrolein

acetamidine

ethyl 2-formyl-3-oxopropanoate

acetamidine hydrochloride

Downstream raw materials:

2-methylpyrimidine-5-carboxylic acid

N-(3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}cyclohexyl)-1,3-oxazole-4-carboxamide

N-((1S,3S)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}cyclohexyl)-1,3-oxazole-4-carboxamide

N-((1R,3R)-3-{[9-ethyl-8-(2-methylpyrimidin-5-yl)-9H-purin-6-yl]amino}cyclohexyl)-1,3-oxazole-4-carboxamide

Refernces

• 1、 -. "N-PHENYL-(2R,5S)DIMETHYLPIPERADINE DERIVATIVE". Page/Page column 15. . Retrieved 2010/02/12.