180059-04-5

Basic information

• Product Name: 1H-Pyrrole-2,4-dicarboxylicacid,3-amino-,dimethylester(9CI)
• Synonyms: 1H-Pyrrole-2,4-dicarboxylicacid,3-amino-,dimethylester(9CI);2,4-Dimethyl 3-amino-1H-pyrrole-2,4-dicarboxylate;Dimethyl 3-Aminopyrrole-2,4-dicarboxylate
• CAS NO: 180059-04-5
• Molecular Formula: C₈H₁₀N₂O₄
• Molecular Weight: 198.18
• Product Categories: AMINOACID
• Mol File: 180059-04-5.mol
• Article Data: 5

Chemical Properties

• Melting Point: 165-166 °C
• Boiling Point: 395.696°C at 760 mmHg
• Flash Point: 193.11°C
• Appearance: /
• Density: 1.359g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.579
• PKA: 14.26±0.50(Predicted)
• CAS DataBase Reference: 1H-Pyrrole-2,4-dicarboxylicacid,3-amino-,dimethylester(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrrole-2,4-dicarboxylicacid,3-amino-,dimethylester(9CI)(180059-04-5)
• EPA Substance Registry System: 1H-Pyrrole-2,4-dicarboxylicacid,3-amino-,dimethylester(9CI)(180059-04-5)

Safety Data

• Hazardous Substances Data: 180059-04-5(Hazardous Substances Data)

Usage

General Description

1H-Pyrrole-2,4-dicarboxylic acid, 3-amino-, dimethyl ester (9CI) is a chemical compound that belongs to the pyrrole family. It has the molecular formula C8H10N2O4 and a molecular weight of 190.17 g/mol. 1H-Pyrrole-2,4-dicarboxylicacid,3-amino-,dimethylester(9CI) is a dimethyl ester derivative of 1H-Pyrrole-2,4-dicarboxylic acid with an amino group at position 3. It is used in various chemical and pharmaceutical applications, including as a building block in the synthesis of organic compounds and as a precursor in the production of pharmaceutical drugs. 1H-Pyrrole-2,4-dicarboxylicacid,3-amino-,dimethylester(9CI) has potential biological activity and may have applications in drug discovery and development.

InChI:InChI=1/C8H10N2O4/c1-13-7(11)4-3-10-6(5(4)9)8(12)14-2/h3,10H,9H2,1-2H3

Upstream product

• 67-56-1 methanol 
• 6829-40-9 aminomalonic acid diethyl ester 
• 94-05-3 ethyl (ethoxymethylene)cyanoacetate 
• 42466-67-1 ethyl (ethoxymethylene)cyanoacetate 
• 13433-00-6 diethyl aminomalonate hydrochloride 
• 124-41-4 sodium methylate 

Downstream Products

• 65996-58-9 9-deazaguanine 
• 779326-74-8 4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid methyl ester 
• 364046-18-4 1S-5-O-tert-butyldimethylsilyl-1,4-dideoxy-1-C-[(4-methyoxypyrrolo[3,2-d]pyrimidin-9-N-(benzyloxomethyl)-7-yl)]-1,4-imino-2,3-O-isopropylidine-D-ribitol 
• 299916-62-4 7-N-benzyloxymethyl-9-bromo-9-deaza-6-O-methylhypoxanthine 
• 5655-01-6 9-deazahypoxanthine 
• 1026012-16-7 5-(benzyloxymethyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidine 
• 364046-19-5 1S-N-tert-butoxycarbonyl-5-O-tert-butyldimethylsilyl-1,4-dideoxy-1-C-[(4-methyoxypyrrolo[3,2-d]pyrimidin-9-N-(benzyloxomethyl)-7-yl)]-1,4-imino-2,3-O-isopropylidine-D-ribitol 
• 402477-37-6 (2S,3S,4R,5R)-tert-butyl 2-(5-(benzyloxymethyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidine-1-carboxylate 
• 917595-31-4 (6aR,8S,9S,9aR)-tert-butyl 8-(5-(benzyloxymethyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-9-hydroxy-2,2,4,4-tetraisopropyltetrahydro-[1,3,5,2,4]trioxadisilocino[7,6-b]pyrrole-7(8H)-carboxylate 
• 1163713-16-3 (6aR,8S,9R,9aR)-tert-butyl 8-(5-(benzyloxymethyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-9-hydroxy-2,2,4,4-tetraisopropyltetrahydro[1,3,5,2,4]trioxadisilocino[7,6-d]pyrrole-7(8H)-carboxylate 
• 402477-42-3 (2S,3S,4R,5R)-tert-butyl 2-(5-((benzyloxy)methyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3,4-dihydroxy-5-((trityloxy)methyl)pyrrolidine-1-carboxylate 
• 577978-31-5 (2S,3S,4R,5R)-tert-butyl 2-(5-((benzyloxy)methyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-hydroxy-4-((4-methoxybenzyl)oxy)-5-((trityloxy)methyl)pyrrolidine-1-carboxylate 
• 402477-45-6 (2S,3S,4R,5R)-tert-butyl 2-(5-((benzyloxy)methyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-hydroxy-3-((4-methoxybenzyl)oxy)-5-((trityloxy)methyl)pyrrolidine-1-carboxylate 
• 1163713-17-4 (2S,3S,4S,5R)-tert-butyl 2-(5-((benzyloxy)methyl)-4-methoxy-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-hydroxy-3-((4-methoxybenzyl)oxy)-5-((trityloxy)methyl)pyrrolidine-1-carboxylate 

Relevant articles and documents

A short, facile synthesis of 2-amino-1,5-dihydro-4H-pyrrolo[3,2-d]- pyrimidin-4-one (9-deazaguanine)

9-Deazaguanine has been synthesized in four steps in an overall isolated yield of 18% from ethyl (ethoxymethylene)cyanoacetate and diethyl aminomalonate.

COMPOSITIONS AND METHODS FOR INHIBITING VIRAL POLYMERASE

Provided are compounds of Formula (I) as described herein. Compounds of Formula (I) are useful in methods of inhibiting viral RNA polymerase activity and viral replication. Also provided are pharmaceutical compositions comprising compounds of Formula (I), as well as methods of treating viral infections using compounds of Formula (I).

Carboxy pyrrole, process of preparing and use as precursor

4-Oxo-4,5-dihydro-3H-pyrrolo[3,2-d] pyrimidine-7-carboxylic acid methyl ester and process for preparing are provided. The 4-oxo-4,5-dihydro-3H-pyrrole[3,2-d] pyrimidine-7-carboxylic acid methyl ester is useful as a precursor for providing 9-deaza-hypoxanthine, a key intermediate for producing certain PNP inhibitors.