222854-85-5

Basic information

• Product Name: 1,3,5,2,4-Trioxadisilocino7,6-bpyrrole-7(6H)-carboxylic acid, 8-1-cyano-2-(2-ethoxy-2-oxoethyl)aminoethenyltetrahydro-2,2,4,4-tetrakis(1-methylethyl)-, 1,1-dimethylethyl ester, (6aR,8R,9aS)-
• Synonyms: 1,3,5,2,4-Trioxadisilocino7,6-bpyrrole-7(6H)-carboxylic acid, 8-1-cyano-2-(2-ethoxy-2-oxoethyl)aminoethenyltetrahydro-2,2,4,4-tetrakis(1-methylethyl)-, 1,1-dimethylethyl ester, (6aR,8R,9aS)-
• CAS NO: 222854-85-5
• Molecular Formula: C₂₉H₅₃N₃O₇Si₂
• Molecular Weight: 611.92
• Mol File: 222854-85-5.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1,3,5,2,4-Trioxadisilocino7,6-bpyrrole-7(6H)-carboxylic acid, 8-1-cyano-2-(2-ethoxy-2-oxoethyl)aminoethenyltetrahydro-2,2,4,4-tetrakis(1-methylethyl)-, 1,1-dimethylethyl ester, (6aR,8R,9aS)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5,2,4-Trioxadisilocino7,6-bpyrrole-7(6H)-carboxylic acid, 8-1-cyano-2-(2-ethoxy-2-oxoethyl)aminoethenyltetrahydro-2,2,4,4-tetrakis(1-methylethyl)-, 1,1-dimethylethyl ester, (6aR,8R,9aS)-(222854-85-5)
• EPA Substance Registry System: 1,3,5,2,4-Trioxadisilocino7,6-bpyrrole-7(6H)-carboxylic acid, 8-1-cyano-2-(2-ethoxy-2-oxoethyl)aminoethenyltetrahydro-2,2,4,4-tetrakis(1-methylethyl)-, 1,1-dimethylethyl ester, (6aR,8R,9aS)-(222854-85-5)

Safety Data

• Hazardous Substances Data: 222854-85-5(Hazardous Substances Data)

Usage

Molecular structure

The compound has a complex molecular structure with multiple rings and functional groups.

Organic compound

It is an organic compound, meaning it primarily consists of carbon and hydrogen atoms.

Silicon and nitrogen atoms

The compound contains silicon and nitrogen atoms in its structure.

Tetracyclic pyrrole derivative

It is a derivative of a tetracyclic pyrrole, which is a type of heterocyclic compound containing four rings.

Carboxylic acid

The compound has a carboxylic acid functional group, which is characterized by a -COOH group.

Ester

It also contains an ester functional group, which is characterized by a -COOgroup.

Cyanide

The compound has a cyanide functional group, which is a highly toxic and reactive group with the formula -CN.

Ethoxy and oxoethyl functional groups

The compound contains ethoxy (-OCH2CH3) and oxoethyl (-CH2CH3) functional groups.

Tetra(1-methylethyl)

The compound has four 1-methylethyl (tert-butyl) groups attached to the molecule.

1,1-Dimethylethyl ester

The compound is an ester derived from 1,1-dimethylethyl (tert-butyl) alcohol.

Stereochemistry

The compound has specific stereochemistry, with the (6aR,8R,9aS) configuration.

Potential uses

Due to its intricate molecular structure and diverse functional groups, the compound may have a range of potential applications in various fields, such as pharmaceuticals, materials science, or chemical research.

Hazardous properties

The presence of cyanide and carboxylic acid groups may indicate potential hazards, such as toxicity or reactivity, which should be considered when handling or using the compound.

Upstream product

• 623-33-6 glycine ethyl ester hydrochloride 
• 284490-18-2 (2R,3aS,9aR)-2-((Z)-1-Cyano-2-hydroxy-vinyl)-5,5,7,7-tetraisopropyl-tetrahydro-4,6,8-trioxa-1-aza-5,7-disila-cyclopentacyclooctene-1-carboxylic acid tert-butyl ester 
• 24424-99-5 di-tert-butyl dicarbonate 
• 153172-31-7 (3aR,4R,6aS)-4-({[(tert-butyl)(dimethyl)silyl]oxy}methyl)tetrahydro-2,2-dimethyl-3aH-[1,3]dioxolo[4,5-c]pyrrole 
• 153172-33-9 (3aR,4R,6aS)-4-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyl-4,6a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyrrole 
• 222631-20-1 2,3,6-trideoxy-3,6-imino-D-allo-heptononitrile 
• 222631-23-4 N-tert-butoxycarbonyl-2,3,6-trideoxy-3,6-imino-D-allo-heptononitrile 
• 222631-08-5 2-((3aS,4S,6R,6aR)-6-(((tert-butyldimethylsilyl)oxy)methyl)-2,2-dimethyltetrahydro-3aH-[1,3]dioxolo [4,5-c]pyrrol-4-yl)acetonitrile 
• 222854-83-3 N-tert-butoxycarbonyl-2,3,4,6-tetradeoxy-3,6-imino-5,7-O-(1,1,3,3-tetraisopropyldisiloxa-1,3-diyl)-D-ribo-heptononitrile 
• 222854-81-1 N-tert-butoxycarbonyl-2,3,6-trideoxy-3,6-imino-5,7-O-(1,1,3,3-tetraisopropyldisiloxa-1,3-diyl)-D-allo-heptononitrile 
• 222854-82-2 N-tert-butoxycarbonyl-2,3,6-trideoxy-4-O-[imidazole-(thiocarbonyl)]-3,6-imino-5,7-O-(1,1,3,3-tetraisopropyldisiloxa-1,3-diyl)-D-allo-heptononitrile 

Downstream Products

• 222854-86-6 (1R)-1-[3-amino-1-N-benzyloxycarbonyl-2-ethoxycarbonylpyrrol-4-yl]-N-tert-butoxycarbonyl-1,2,4-trideoxy-1,4-imino-3,5-O-(1,1,3,3-tetraisopropyldisiloxa-1,3-diyl)-D-erythro-pentitol 
• 222854-87-7 (1R)-N-tert-butoxycarbonyl-1,2,4-trideoxy-1-(9-deazahypoxanthin-9-yl)-1,4-imino-3,5-O-(1,1,3,3-tetraisopropyldisiloxa-1,3-diyl)-D-erythro-pentitol 
• 222854-89-9 2-(2-amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-5,5,7,7-tetraisopropyl-tetrahydro-4,6,8-trioxa-1-aza-5,7-disila-cyclopentacyclooctene-1-carboxylic acid tert-butyl ester 
• 222854-88-8 2-[4-(3-benzoyl-2-methyl-isothioureido)-5-ethoxycarbonyl-1H-pyrrol-3-yl]-5,5,7,7-tetraisopropyl-tetrahydro-4,6,8-trioxa-1-aza-5,7-disila-cyclopentacyclooctene-1-carboxylic acid tert-butyl ester 

Relevant articles and documents

Synthesis of transition state analogue inhibitors for purine nucleoside phosphorylase and N-riboside hydrolases

Syntheses of the 'Immucillins', potent aza-C-nucleoside inhibitors of purine nucleoside phosphorylase are reported as well as those of 5-deoxy-, 5- deoxyfluoro- and 2-deoxy- analogues and others having modified bases. (C) 2000 Elsevier Science Ltd.