148550-51-0

Basic information

• Product Name: ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE
• Synonyms: ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE;ETHYL 2-(METHYLSULPHONYL)PYRIMIDINE-5-CARBOXYLATE;2-(Methylsulfonyl)-5-pyrimidinecarboxylic acid ethyl ester
• CAS NO: 148550-51-0
• Molecular Formula: C₈H₁₀N₂O₄S
• Molecular Weight: 230.24
• Product Categories: Pyridines, Pyrimidines, Purines and Pteredines
• Mol File: 148550-51-0.mol
• Article Data: 19

Chemical Properties

• Boiling Point: 407.7°C at 760 mmHg
• Flash Point: 200.4°C
• Appearance: /
• Density: 1.338g/cm³
• Vapor Pressure: 7.41E-07mmHg at 25°C
• Refractive Index: 1.51
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -4.99±0.22(Predicted)
• CAS DataBase Reference: ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE(148550-51-0)
• EPA Substance Registry System: ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE(148550-51-0)

Safety Data

• Hazardous Substances Data: 148550-51-0(Hazardous Substances Data)

Usage

General Description

ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE is a specialized chemical compound, which belongs to the family of pyrimidines - a type of aromatic heterocyclic organic compound. Its unique complex molecular structure includes a methylsulfonyl group and a carboxylate ester group, indicating its potential usage in various applications, particularly in chemical research and pharmaceutical developments. ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE plays a role as a possible precursor or intermediate chemical in the synthesis of more complex molecules. However, detailed information regarding its properties, including toxicity and safety, is not readily available and it should therefore be used with caution until more extensive research is conducted.

InChI:InChI=1/C8H10N2O4S/c1-3-14-7(11)6-4-9-8(10-5-6)15(2,12)13/h4-5H,3H2,1-2H3

Upstream product

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

Downstream Products

• 875318-46-0 ethyl 2-(4-(hydroxymethyl)piperidin-1-yl )pyrimidine-5-carboxylate 
• 1024010-89-6 ethyl 2-((1S,4S)-5-benzhydryl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrimidine-5-carboxylate 
• 1256449-36-1 ethyl 2-{6-[(4-fluorobenzyl)amino]-3-azabicyclo[3.1.0]hex-3-yl}pyrimidine-5-carboxylate 
• 1256449-05-4 ethyl 2-{6-[(4-chlorobenzyl)amino]-3-azabicyclo[3.1.0]hex-3-yl}pyrimidine-5-carboxylate 
• 1256449-39-4 ethyl 2-{6-[(4-bromobenzyl)amino]-3-azabicyclo[3.1.0]hex-3-yl}pyrimidine-5-carboxylate 
• 1256449-42-9 ethyl 2-{6-[(3,5-difluorobenzyl)amino]-3-azabicyclo[3.1.0]hex-3-yl}pyrimidine-5-carboxylate 
• 1256449-45-2 ethyl 2-{6-[(4-cyanobenzyl)amino]-3-azabicyclo[3.1.0]hex-3-yl}pyrimidine-5-carboxylate 
• 1256449-48-5 ethyl 2-(6-{[4-(trifluoromethoxy)benzyl]amino}-3-azabicyclo[3.1.0]hex-3-yl)pyrimidine-5-carboxylate 
• 1256449-51-0 ethyl 2-{6-[(4-methoxybenzyl)amino]-3-azabicyclo[3.1.0]hex-3-yl}pyrimidine-5-carboxylate 
• 1256449-54-3 ethyl 2-{6-[(4-butylbenzyl)amino]-3-azabicyclo[3.1.0]hex-3-yl}pyrimidine-5-carboxylate 
• 1256449-57-6 ethyl 2-(6-{[3,5-bis(trifluoromethyl)benzyl]amino}-3-azabicyclo[3.1.0]hex-3-yl)pyrimidine-5-carboxylate 
• 1256449-60-1 ethyl 2-{6-[(4-phenoxybenzyl)amino]-3-azabicyclo[3.1.0]hex-3-yl}pyrimidine-5-carboxylate 
• 1256448-24-4 N-hydroxy-2-{6-[(cyclohexylmethyl)amino]-3-azabicyclo[3.1.0]hex-3-yl}pyrimidine-5-carboxamide trifluoroacetate 
• 1256448-83-5 2-{6-[(4-fluorobenzyl)amino]-3-azabicyclo[3.1.0]hex-3-yl}pyrimidine-5-carboxylic acid 

Relevant articles and documents

Synthesis and Evaluation of 2-Alkylthio-4-(N-substituted sulfonamide)pyrimidine Hydroxamic Acids as Anti-myeloma Agents

A series of pyrimidine hydroxamic acids with a sulfide substituent at the second position and a sulfonamide substituent at the fourth position have been synthesized and evaluated for their activity against human myeloma cell line RPMI 8226. Several compounds exhibited significant anti-cancer potency. It was found that representative compound 6a selectively killed cancerous but not normal cells. Moreover, compound 6a was effective in causing apoptosis in RPMI 8226 cells and exhibited promising HDAC-inhibitory activities.

Bicyclic Diazepinones as Dual Ligands of the α2δ-1 Subunit of Voltage-Gated Calcium Channels and the Norepinephrine Transporter

The synthesis and pharmacological activity of a new series of bicyclic diazepinones with dual activity toward the α2δ-1 subunit of voltage-gated calcium channels (Cavα2δ-1) and the norepinephrine transporter (NET) are reported. Exploration of the positions amenable for substitution on a nonaminoacidic Cavα2δ-1 scaffold allowed the identification of favorable positions for the attachment of NET pharmacophores. Among the patterns explored, attachment of the 2-ethylamino-9-methyl-6-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-e][1,4]diazepin-5-one framework to the meta-position of the phenyl ring of the 3-methylamino-1-phenylpropoxy and 3-methylamino-1-thiophenylpropoxy moieties provided dual compounds with excellent NET functionality. Alternative bicyclic frameworks were also explored, and some lead molecules were identified, which showed a balanced dual profile and exhibited good ADMET properties.

PROCESS FOR THE SEPARATION OF ENANTIOMERS OF PIPERAZINE DERIVATIVES

The invention relates to a process for preparing either enantiomer of a compound of formula (I), wherein X, Y and n have the meaning given in claim 1, with high enantiomeric excess (e.e.), by chiral resolution in the presence of a non-racemic, chiral acid.