222854-82-2

Basic information

• Product Name: 1,3,5,2,4-Trioxadisilocino7,6-bpyrrole-7(6H)-carboxylic acid, 8-(cyanomethyl)tetrahydro-9-(1H-imidazol-1-ylthioxomethoxy)-2,2,4,4-tetrakis(1-methylethyl)-, 1,1-dimethylethyl ester, (6aR,8S,9S,9aR)-
• Synonyms: 1,3,5,2,4-Trioxadisilocino7,6-bpyrrole-7(6H)-carboxylic acid, 8-(cyanomethyl)tetrahydro-9-(1H-imidazol-1-ylthioxomethoxy)-2,2,4,4-tetrakis(1-methylethyl)-, 1,1-dimethylethyl ester, (6aR,8S,9S,9aR)-
• CAS NO: 222854-82-2
• Molecular Formula: C28H48 N4 O6 S Si2
• Molecular Weight: 624.94
• Mol File: 222854-82-2.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1,3,5,2,4-Trioxadisilocino7,6-bpyrrole-7(6H)-carboxylic acid, 8-(cyanomethyl)tetrahydro-9-(1H-imidazol-1-ylthioxomethoxy)-2,2,4,4-tetrakis(1-methylethyl)-, 1,1-dimethylethyl ester, (6aR,8S,9S,9aR)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5,2,4-Trioxadisilocino7,6-bpyrrole-7(6H)-carboxylic acid, 8-(cyanomethyl)tetrahydro-9-(1H-imidazol-1-ylthioxomethoxy)-2,2,4,4-tetrakis(1-methylethyl)-, 1,1-dimethylethyl ester, (6aR,8S,9S,9aR)-(222854-82-2)
• EPA Substance Registry System: 1,3,5,2,4-Trioxadisilocino7,6-bpyrrole-7(6H)-carboxylic acid, 8-(cyanomethyl)tetrahydro-9-(1H-imidazol-1-ylthioxomethoxy)-2,2,4,4-tetrakis(1-methylethyl)-, 1,1-dimethylethyl ester, (6aR,8S,9S,9aR)-(222854-82-2)

Safety Data

• Hazardous Substances Data: 222854-82-2(Hazardous Substances Data)

Usage

Ester

The compound is an ester, which means it has an ester functional group (-COO-) in its structure.

Silicon-containing

The compound contains silicon, which is a relatively rare element in organic compounds.

Carbon, hydrogen, and oxygen

The compound is composed of carbon, hydrogen, and oxygen atoms.

Imidazole ring

The compound has an imidazole ring, which is a five-membered ring with two nitrogen atoms.

Cyanomethyl group

The compound has a cyanomethyl group (-CH2CN) attached to it.

Tetrahydro

The compound has a tetrahydro (four hydrogen atoms) group attached to it.

Thioxomethoxy group

The compound has a thioxomethoxy group (-SCH2O-) attached to it.

Tetrakis(1-methylethyl) substituents

The compound has four 1-methylethyl (isopropyl) substituents attached to it.

1,1-Dimethylethyl ester

The compound has a 1,1-dimethylethyl (tert-butyl) ester group attached to it.

Stereochemistry

The stereochemistry of the molecule is specified by the designations (6aR,8S,9S,9aR), which indicate the spatial arrangement of the atoms in the molecule.

Structure and reactivity

The precise chemical properties and potential applications of the compound would depend on its structure and reactivity, which are not discernible from its name alone.

Upstream product

• 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 
• 222631-23-4 N-tert-butoxycarbonyl-2,3,6-trideoxy-3,6-imino-D-allo-heptononitrile 
• 222631-20-1 2,3,6-trideoxy-3,6-imino-D-allo-heptononitrile 
• 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 
• 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 
• 24424-99-5 di-tert-butyl dicarbonate 
• 6160-65-2 1,1'-Thiocarbonyldiimidazole 
• 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 

Downstream Products

• 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 
• 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 
• 222854-89-9 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 
• 222854-87-7 (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 
• 222854-85-5 (2R,3aS,9aR)-2-[(Z)-1-Cyano-2-(ethoxycarbonylmethyl-amino)-vinyl]-5,5,7,7-tetraisopropyl-tetrahydro-4,6,8-trioxa-1-aza-5,7-disila-cyclopentacyclooctene-1-carboxylic acid tert-butyl ester 
• 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 
• 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 

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.