125555-67-1

Basic information

• Product Name: (4S,5R,6R)-2-(3-Methyl-3-butene-1-ynyl)-4-hydroxy-5,6-epoxy-2-cyclohexene-1-one
• Synonyms: (+)-Harveynone;(+)-PT-toxin;(4S,5R,6R)-2-(3-Methyl-3-butene-1-ynyl)-4-hydroxy-5,6-epoxy-2-cyclohexene-1-one;5β,6β-Epoxy-4α-hydroxy-2-(3-methyl-3-buten-1-ynyl)-2-cyclohexen-1-one;(4R)-4β-Hydroxy-5α,6α-epoxy-2-(3-methylbutane-1-yne-3-ene-1-yl)-2-cyclohexene-1-one
• CAS NO: 125555-67-1
• Molecular Formula: C11H10 O3
• Molecular Weight: 190.1953
• Mol File: 125555-67-1.mol

Chemical Properties

• Boiling Point: 389.4°Cat760mmHg
• Flash Point: 159°C
• Appearance: /
• Density: 1.29g/cm³
• Vapor Pressure: 1.13E-07mmHg at 25°C
• Refractive Index: 1.586
• CAS DataBase Reference: (4S,5R,6R)-2-(3-Methyl-3-butene-1-ynyl)-4-hydroxy-5,6-epoxy-2-cyclohexene-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: (4S,5R,6R)-2-(3-Methyl-3-butene-1-ynyl)-4-hydroxy-5,6-epoxy-2-cyclohexene-1-one(125555-67-1)
• EPA Substance Registry System: (4S,5R,6R)-2-(3-Methyl-3-butene-1-ynyl)-4-hydroxy-5,6-epoxy-2-cyclohexene-1-one(125555-67-1)

Safety Data

• Hazardous Substances Data: 125555-67-1(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
(4S,5R,6R)-2-(3-Methyl-3-butene-1-ynyl)-4-hydroxy-5,6-epoxy-2-cyclohexene-1-one is used as a key intermediate for the synthesis of various complex organic molecules due to its unique structure and reactivity.
Used in Pharmacology and Medicinal Chemistry:
(4S,5R,6R)-2-(3-Methyl-3-butene-1-ynyl)-4-hydroxy-5,6-epoxy-2-cyclohexene-1-one is used as a potential building block for the development of new pharmaceuticals and medicines, given its distinctive functional groups and structural features that may offer novel biological activities.
Further research and analysis are required to fully understand the properties and potential uses of this compound in different industries.

InChI:InChI=1/C11H10O3/c1-6(2)3-4-7-5-8(12)10-11(14-10)9(7)13/h5,8,10-12H,1H2,2H3/t8-,10+,11-/m1/s1

Upstream product

• 792910-34-0 C₂₀H₃₀O₅Si 
• 792910-35-1 Acetic acid (1R,2S,6R)-4-(tert-butyl-dimethyl-silanyloxymethyl)-5-oxo-7-oxa-bicyclo[4.1.0]hept-3-en-2-yl ester 
• 792910-36-2 (1R,5S,6R)-3-(tert-Butyl-dimethyl-silanyloxymethyl)-5-hydroxy-7-oxa-bicyclo[4.1.0]hept-3-en-2-one 
• 174156-50-4 (2R,3S,4S)-4-tert-butyldimethylsilyloxy-2,3-epoxy-6-hydroxymethyl-5-cyclohexen-1-one 
• 1391563-99-7 C₁₄H₂₂O₃Si 
• 1391563-95-3 C₁₃H₂₂O₄Si 
• 1391563-94-2 C₁₃H₂₄O₄Si 
• 1391563-91-9 C₁₉H₃₆O₄Si₂ 
• 313547-95-4 (3R,4R,5R)-3-[(tert-butyl-dimethylsilyl)oxy]-4,5-(isopropylidenedioxy)-1-cyclohexanone 
• 74293-60-0 (3aR,7R,7aS)-7-hydroxy-2,2-dimethyltetrahydrobenzo[d][1,3]dioxol-5(6H)-one 
• 188308-06-7 (2R,3S,4S)-4-[(tert-Butyldimethylsilyl)oxy]-2,3-epoxy-6-iodo-5-cyclohexen-1-one 
• 188308-05-6 (2R,3S,4S)-4-[(tert-Butyldimethylsilyl)oxy]-2,3-epoxy-5-cyclohexen-1-one 
• 188308-08-9 (2R,3S,4S)-4-[(tert-Butyldimethylsilyl)oxy]-2,3-epoxy-6-(3-methylbut-3-en-1-ynyl)-5-cyclohexen-1-one 

Relevant articles and documents

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