149771-08-4

Basic information

• Product Name: Diethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate
• Synonyms: Diethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate;2-(methylthio)-4,5-Pyrimidinedicarboxylic acid4,5-diethyl ester
• CAS NO: 149771-08-4
• Molecular Formula: C₁₁H₁₄N₂O₄S
• Molecular Weight: 270.308
• Mol File: 149771-08-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 367.7°C at 760 mmHg
• Flash Point: 176.2°C
• Appearance: /
• Density: 1.28g/cm³
• Vapor Pressure: 1.34E-05mmHg at 25°C
• Refractive Index: 1.544
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: -3.06±0.29(Predicted)
• CAS DataBase Reference: Diethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: Diethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate(149771-08-4)
• EPA Substance Registry System: Diethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate(149771-08-4)

Safety Data

• Hazardous Substances Data: 149771-08-4(Hazardous Substances Data)

Usage

Uses

Diethyl 2-(Methylthio)-4,5-pyrimidinedicarboxylate can be prepared to be used as HIV integrase inhibitors.

InChI:InChI=1/C11H14N2O4S/c1-4-16-9(14)7-6-12-11(18-3)13-8(7)10(15)17-5-2/h6H,4-5H2,1-3H3

Upstream product

• 867-44-7 S-Methylisothiourea sulfate 
• 5909-24-0 4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester 
• 64-17-5 ethanol 
• 201230-82-2 carbon monoxide 
• 108-56-5 diethyl oxaloacetate 
• 14527-26-5 2-methylisothiourea sulphate 

Downstream Products

• 294673-60-2 6-{[3,5-bis(trifluoromethyl)phenyl]methyl}-2-methylthio-3-pyrrolino[3,4-d]pyrimidine-5,7-dione 
• 294673-59-9 6-[3,5-bis(trifluoromethyl)phenyl]-2-methylthio-3-pyrrolino[3,4-d]pyrimidine-5,7-dione 
• 149771-16-4 2-methylthiopyrimidine-4,5-dicarboxylic acid 

Relevant articles and documents

HIV INTEGRASE INHIBITORS

The present invention concerns the compounds having the formula (1), N-oxides, salts, stereoisomeric forms, racemic mixtures, prodrugs, esters and metabolites thereof wherein (a) or (b); A, together with the two carbons of the phenyl ring to which it is attached forms a monocyclic aryl or a monocyclic Het2 ; R1 is hydrogen, halo, nitro, cyano, sultam, sulltim, C3-7cycloalkyl, C(=O)-R5, S(=O)y-R6, OR 7, NR8R9, C(=NR8)-R5, optionally polysubstituted C1-6alkyl, optionally polysubstituted C2-6alkenyl or optionally polysubstituted C2-6alkynyl; R 2 is hydrogen, C3-7cycloalkyl, aryl, Het1, Het2, C(=O)-R5, S(=O)Y-R6 OR7, NR8R9, C=NR8)-R5, or optionally polysubstituted C1-6alkyl, optionally polysubstituted C2-6alkenyl or optionally polysubstituted C2-6alkynyl. It further relates to their use as HIV integrase inhibitors, processes for their preparation as well as pharmaceutical compositions and diagnostic kits comprising them. It also concerns combinations thereof with other anti-retroviral agents, and to their use in assays as reference compounds or as reagents.

Synthesis, antiviral (HSV-1) and antimycotic activities of ethyl or methyl 2,4-disubstituted 5-pyrimidinecarboxylates, 2,4-disubstituted 5-pyrimidinecarboxylic acids and 2,4-disubstituted pyrimidines

The synthesis of ethyl or methyl 4-substituted or unsubstituted 2-methylthio-5-pyrimidinecarboxylates 3 a-i and 8 o mainly by reaction of ethyl or methyl 2-dimethylaminomethylene-3-oxoalkanoates with 2-methylisothiourea is described. Also some ethyl 2-sub