Ethyl 4-methylpyrimidine-5-carboxylate

Base Information

• Chemical Name: Ethyl 4-methylpyrimidine-5-carboxylate
• CAS No.: 110960-73-1
• Molecular Formula: C8H10N2O2
• Molecular Weight: 166.18
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID90526168
• Wikidata: Q72476188
• Mol file: 110960-73-1.mol

Synonyms:ethyl 4-methylpyrimidine-5-carboxylate;110960-73-1;MFCD07369107;4-Methylpyrimidine-5-carboxylic acid ethyl ester;4-methyl-pyrimidine-5-carboxylic acid ethyl ester;ETHYL-4-METHYL PYRIMIDINE-5-CARBOXYLATE;5-Pyrimidinecarboxylic acid, 4-methyl-, ethyl ester;SCHEMBL1669584;DTXSID90526168;VVZGEVKJTLFQQS-UHFFFAOYSA-N;4-methyl-5-ethoxycarbonylpyrimidine;AMY27597;ethyl4-methylpyrimidine-5-carboxylate;AKOS005264411;CS-W000455;Ethyl 4-methyl-5-pyrimidinecarboxylate;SB57733;AC-24320;DS-16898;SY006265;EN300-685311;A853893;J-515818

Chemical Property of Ethyl 4-methylpyrimidine-5-carboxylate

Chemical Property:

• Vapor Pressure: 0.0208mmHg at 25°C
• Refractive Index: 1.507
• Boiling Point: 251.2 °C at 760 mmHg
• PKA: 0.29±0.16(Predicted)
• Flash Point: 105.7 °C
• PSA: 52.08000
• Density: 1.133 g/cm³
• LogP: 0.96170
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 166.074227566
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

Ethyl4-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=CN=C1C
• Uses: Ethyl 4-methylpyrimidine-5-carboxylate is used as a reagent to synthesize Pyrazole (P842195) derivatives, compounds that have the ability to treat patients with lung cancer.

Technology Process of Ethyl 4-methylpyrimidine-5-carboxylate

There total 5 articles about Ethyl 4-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: 45.0%

1,3,5-Triazine (290-87-9) + (E)-3-Methylamino-but-2-enoic acid ethyl ester; hydrochloride → formamidine hydrochloride (6313-33-3) + ethyl 4-methylpyrimidine-5-carboxylate (110960-73-1) + 4-Methylamino-nicotinic acid ethyl ester

Guidance literature:

In acetonitrile; for 6h; Product distribution; Mechanism; Heating; further N-substituted enaminone hydrochlorides;

Reference yield: 38.0%

1,3,5-Triazine (290-87-9) + (E)-3-Ethylamino-but-2-enoic acid ethyl ester; hydrochloride → formamidine hydrochloride (6313-33-3) + ethyl 4-methylpyrimidine-5-carboxylate (110960-73-1) + 4-Ethylamino-nicotinic acid ethyl ester (110960-70-8)

Guidance literature:

In acetonitrile; for 6h; Heating;

Reference yield: 33.0%

1,3,5-Triazine (290-87-9) + (E)-3-Piperidin-1-yl-but-2-enoic acid ethyl ester; hydrochloride → formamidine hydrochloride (6313-33-3) + ethyl 4-methylpyrimidine-5-carboxylate (110960-73-1) + 3,4,5,6-Tetrahydro-2H-[1,4']bipyridinyl-3'-carboxylic acid ethyl ester

Guidance literature:

In acetonitrile; for 6h; Heating;

upstream raw materials:

1,3,5-Triazine

Downstream raw materials:

1-{4-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-3-fluorophenyl}-3-(4-methylpyrimidin-5-yl)urea

4‐methylpyrimidine‐5‐carboxylic acid

ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate

3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethylester