Ethyl 2-(methylthio)pyrimidine-5-carboxylate

Base Information

• Chemical Name: Ethyl 2-(methylthio)pyrimidine-5-carboxylate
• CAS No.: 73781-88-1
• Molecular Formula: C8H10N2O2S
• Molecular Weight: 198.246
• Hs Code.: 29335990
• European Community (EC) Number: 640-608-9
• DSSTox Substance ID: DTXSID60439953
• Nikkaji Number: J528.912B
• Wikidata: Q72476269
• Mol file: 73781-88-1.mol

Synonyms:73781-88-1;Ethyl 2-(methylthio)pyrimidine-5-carboxylate;2-(Methylthio)-5-pyrimidinecarboxylic acid ethyl ester;Ethyl 2-methylsulfanylpyrimidine-5-carboxylate;ethyl 2-methylthiopyrimidine-5-carboxylate;MFCD07779178;5-Pyrimidinecarboxylic acid, 2-(methylthio)-, ethyl ester;ETHYL 2-(METHYLTHIO)-5-PYRIMIDINECARBOXYLATE;ethyl 2-(methylsulfanyl)pyrimidine-5-carboxylate;2-methylthio-5-pyrimidinecarboxylic acid ethyl ester;Ethyl2-(Methylthio)pyrimidine-5-carboxylate;ETHYL-2-THIOMETHYL-PYRIMIDINE-5-CARBOXYLATE;SCHEMBL243831;DTXSID60439953;LVNRRUKCFUSBDL-UHFFFAOYSA-N;2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER;BCP26448;AKOS005146369;2-methylthio-5-ethoxycarbonylpyrimidine;PB17441;PS-5129;AC-26649;SY011806;ethyl 2-methylthio-5-pyrimidinecarboxylate;A9501;AM20100713;CS-0045713;FT-0647881;J-520648;2-(Methylthio)pyrimidine-5-carboxylic acid ethyl ester

Chemical Property of Ethyl 2-(methylthio)pyrimidine-5-carboxylate

Chemical Property:

• Vapor Pressure: 0.000495mmHg at 25°C
• Melting Point: 38-40 °C
• Refractive Index: 1.552
• Boiling Point: 313.5 °C at 760 mmHg
• PKA: -0.77±0.22(Predicted)
• Flash Point: 143.4 °C
• PSA: 77.38000
• Density: 1.24 g/cm³
• LogP: 1.37520
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 198.04629874
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

Ethyl2-(Methylthio)pyrimidine-5-carboxylate ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 2-(methylthio)pyrimidine-5-carboxylate

There total 1 articles about Ethyl 2-(methylthio)pyrimidine-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:

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester (5909-24-0) → ethyl 2,4-bis(methylthio)pyrimidine-5-carboxylate (5909-25-1) + ethyl 2-(methylthio)pyrimidine-5-carboxylate (73781-88-1)

Guidance literature:

With acetic acid; zinc; In tetrahydrofuran; Overall yield = 3.47 g; Reflux;

Reference yield: 89.0%

aniline (62-53-3) + ethyl 2-(methylthio)pyrimidine-5-carboxylate (73781-88-1) → ethyl 2-(phenylamino)pyrimidine-5-carboxylate (864172-93-0)

Guidance literature:

ethyl 2-(methylthio)pyrimidine-5-carboxylate; With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 1h;

aniline; In 1,4-dioxane; at 90 ℃; for 6h;

Reference yield: 80.0%

4-fluoroaniline (371-40-4) + ethyl 2-(methylthio)pyrimidine-5-carboxylate (73781-88-1) → 2-methylsulfanylpyrimidine-5-carboxylic acid (4-fluorophenyl)amide (923291-78-5)

Guidance literature:

4-fluoroaniline; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.0416667h;

ethyl 2-(methylthio)pyrimidine-5-carboxylate; In tetrahydrofuran; for 0.15h;

upstream raw materials:

4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester

Downstream raw materials:

2-oxo-1,2-dihydropyrimidine-5-carboxylic acid

2-(methylsulfanyl)-5-pyrimidinecarboxylic acid

ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate

2-hydroxypyrimidine-5-carboxylic acid

Refernces

• 1、 -. "DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS". Page/Page column 275. . Retrieved 2013/04/13.