155855-51-9

Basic information

• Product Name: 4,7-Methano-4H-1,3-dioxolo[4,5-d][1,2]oxazine, tetrahydro-2,2-dimethyl-6-(phenylmethyl)-, (3aS,4S,7R,7aS)-
• Synonyms: 4,7-Methano-4H-1,3-dioxolo[4,5-d][1,2]oxazine, tetrahydro-2,2-dimethyl-6-(phenylmethyl)-, (3aS,4S,7R,7aS)-
• CAS NO: 155855-51-9
• Molecular Formula: C₁₅H₁₉NO₃
• Molecular Weight: 261
• EINECS: -0
• Mol File: 155855-51-9.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 361.7±52.0 °C(Predicted)
• Appearance: /
• Density: 1.185±0.06 g/cm3(Predicted)
• PKA: 0.89±0.40(Predicted)
• CAS DataBase Reference: 4,7-Methano-4H-1,3-dioxolo[4,5-d][1,2]oxazine, tetrahydro-2,2-dimethyl-6-(phenylmethyl)-, (3aS,4S,7R,7aS)-(CAS DataBase Reference)
• NIST Chemistry Reference: 4,7-Methano-4H-1,3-dioxolo[4,5-d][1,2]oxazine, tetrahydro-2,2-dimethyl-6-(phenylmethyl)-, (3aS,4S,7R,7aS)-(155855-51-9)
• EPA Substance Registry System: 4,7-Methano-4H-1,3-dioxolo[4,5-d][1,2]oxazine, tetrahydro-2,2-dimethyl-6-(phenylmethyl)-, (3aS,4S,7R,7aS)-(155855-51-9)

Safety Data

• Hazardous Substances Data: 155855-51-9(Hazardous Substances Data)

Upstream product

• 29601-98-7 N-benzylhydroxylamine hydrochloride 
• 50600-40-3 (3aS,4S,6aR)-4-(iodomethyl)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole 
• 4137-56-8 ((3aR,4R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl 4-methylbenzenesulfonate 
• 532-20-7 D-Ribose 
• 4099-85-8 methyl 2,3-O-isopropylidene-D-ribofuranoside 
• 155934-55-7 (4R,5R)-2,2-dimethyl-5-vinyl-[1,3]dioxolane-4-carbaldehyde 
• 38838-06-1 methyl 5-deoxy-5-iodo-2,3-isopropylidene-β-D-ribofuranoside 
• 345898-95-5 N-(((4S,5R)-2,2-dimethyl-5-vinyl-1 ,3-dioxolan-4-yl)methylene)-1-phenylmethanamine oxide 
• 345898-95-5 (Z)-4,5-dideoxy-2,3-O-isopropylidene-D-erythro-4-pentose N-benzyl nitrone 
• 10257-32-6 D-ribose 
• 78341-96-5 (3aS,4S,6aR)-4-(bromomethyl)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole 
• 81026-76-8 ((3aR,4R,6aR)-6-methoxy-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl methanesulfonate 

Downstream Products

• 376608-75-2 2-({(3aR,4S,6R,6aS)-6-[7-chloro-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-3-yl]-2,2-dimethyltetrahydro-3aH-cyclopentadiene[d][1,3]dioxolene-4-yl}oxy)ethanol 
• 376608-74-1 2-[((3aR,4S,6R,6aS)-6-[[5-amino-6-chloro-2-(propylsulfanyl)-4-pyrimidinyl]amino]-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)oxy]-1-ethanol 
• 274693-55-9 [3aR-(3aα,4α,6α,6aα)]-2-[[6-amino-2,2-dimethyl tetrahydro-4H-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol 
• 274693-54-8 benzyl 6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ylcarbamate 
• 866551-95-3 ethyl 2-(6-(benzyloxycarbonylamino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yloxy) acetate 
• 274693-53-7 [3aS-(3aα,4α,6α,6aα)]-(tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl)carbamic acid phenylmethyl ester 
• 274693-27-5 ticagrelor 
• 220347-05-7 AR-C₁₂₄₉₁₀XX 
• 274693-49-1 (3aR,4S,6R,6aS)-6-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol 
• 1381841-44-6 2-((1S,2S,3S,4R)-4-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino-5-propylthio-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2,3-dihydroxycyclopentyl)oxy) thyl carbonate 
• 1381841-46-8 2-((1S,2S,3S,4R)-4-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino-5-propylthio-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2,3-dihydroxycyclopentyl)oxy)ethyl isobutyl carbonate 
• 1381841-52-6 (1S,2S,3S,4R)-4-(7-((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino-5-propylthio-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2,3-dihydroxycyclopentyl butyrate 
• 1381841-55-9 (1S,2S,3S,4R)-4-(7-((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino-5-propylthio-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2,3-dihydroxycyclopentyl ethyl carbonate 
• 1381841-56-0 (1S,2S,3S,4R)-4-(7-((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino-5-propylthio-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2,3-dihydroxycyclopentyl isobutyl carbonate 

Relevant articles and documents

Compound a preparation (1R, 2S, 6S, 7S) - 4, 4 - dimethyl -9 - phenylmethyl - 3, 5, 8 - trioxa -9 - aza tricyclic[5.2.1.02.6][...] method

The invention discloses a method for preparing a compound (1R,2S,6S,7S)-4,4-dimethyl-9-benzyl-3,5,8-trioxa-9-azatricyclo[5.2.1.0]decane. The method comprises steps: (1) mixing a compound with the chemical structure shown as a formula 1 and zinc in a protic solvent, so as to obtain a compound with the chemical structure shown as a formula 2; (2) mixing the compound with the chemical structure shown as the formula 2 and benzylhydroxylamine or a salt thereof in a protic solvent in the presence of an inorganic base, so as to obtain a compound with the chemical structure shown as a formula 3, wherein the inorganic base is selected from sodium carbonate, potassium carbonate or sodium bicarbonate; and (3) refluxing the compound with the chemical structure shown as the formula 3 in chlorobenzene in the presence of a base, so as to obtain a compound with the chemical structure shown as a formula 4, wherein the base is selected from potassium carbonate, sodium carbonate, sodium bicarbonate, pyridine and triethylamine.

SYNTHESIS OF TRIAZOLOPYRIMIDINE COMPOUNDS

The present invention relates to the field of organic synthesis and describes the synthesis of specific intermediates suitable for the preparation of triazolopyrimidine compounds such as ticagrelor.

An improved approach to chiral cyclopentenone building blocks. Total synthesis of pentenomycin I and neplanocin A

An improved approach to enantiomerically pure hydroxylated cyclopentenones is reported here, which involves intramolecular nitrone cycloaddition of sugar-derived chiral pent-4-enals and hex-5-en-ones-2 followed by N-O bond cleavage, quaternization of the amine thus produced, and finally oxidative elimination of the amino group. Synthesis of pentenomycin I and neplanocin A is described following this methodology.