117479-71-7

Basic information

• Product Name: 2-Cyclohexen-1-one,3-[(1E)-4-hydroxy-3-(hydroxymethyl)-1-buten-1-yl]-4-(hydroxymethyl)-2,4-dimethyl-,(4S)-
• Synonyms: 2-Cyclohexen-1-one,3-[(1E)-4-hydroxy-3-(hydroxymethyl)-1-butenyl]-4-(hydroxymethyl)-2,4-dimethyl-,(4S)- (9CI); 2-Cyclohexen-1-one,3-[4-hydroxy-3-(hydroxymethyl)-1-butenyl]-4-(hydroxymethyl)-2,4-dimethyl-,[S-(E)]-; (+)-Cassiol; (S)-(+)-Cassiol; Cassiol
• CAS NO: 117479-71-7
• Molecular Formula: C14H22 O4
• Molecular Weight: 254.326
• Mol File: 117479-71-7.mol
• Article Data: 11

Chemical Properties

• CAS DataBase Reference: 2-Cyclohexen-1-one,3-[(1E)-4-hydroxy-3-(hydroxymethyl)-1-buten-1-yl]-4-(hydroxymethyl)-2,4-dimethyl-,(4S)-(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Cyclohexen-1-one,3-[(1E)-4-hydroxy-3-(hydroxymethyl)-1-buten-1-yl]-4-(hydroxymethyl)-2,4-dimethyl-,(4S)-(117479-71-7)
• EPA Substance Registry System: 2-Cyclohexen-1-one,3-[(1E)-4-hydroxy-3-(hydroxymethyl)-1-buten-1-yl]-4-(hydroxymethyl)-2,4-dimethyl-,(4S)-(117479-71-7)

Safety Data

• Hazardous Substances Data: 117479-71-7(Hazardous Substances Data)

Upstream product

• 131134-35-5 (3S,4R)-4-Hydroxymethyl-4-methyl-7,7-dimethoxy-3-heptanol 
• 1101871-08-2 C₁₅H₁₈O₂S 
• 155818-07-8 (S)-3-[(E)-2-(2,2-Dimethyl-[1,3]dioxan-5-yl)-vinyl]-4-hydroxymethyl-2,4-dimethyl-cyclohex-2-enone 
• 123522-74-7 (S)-4-(tert-Butyl-diphenyl-silanyloxymethyl)-3-[(E)-2-(2,2-dimethyl-[1,3]dioxan-5-yl)-vinyl]-2,4-dimethyl-cyclohex-2-enone 
• 108543-38-0 (-)-cassioside 
• 123522-72-5 Tributyl-[(E)-2-(2,2-dimethyl-[1,3]dioxan-5-yl)-vinyl]-stannane 
• 131134-38-8 (R)-6-(t-Butyldimethylsiloxymethyl)-3-ethoxy-2,6-dimethyl-2-cyclohexen-1-one 
• 131134-36-6 (3S,4R)-4-(t-Butyldimethylsiloxymethyl)-4-methyl-7,7-dimethoxy-3-heptanol 
• 131134-37-7 Methyl (R)-4-(t-butyldimethylsiloxymethyl)-4-methyl-5-oxoheptanoate 
• 131134-40-2 (4R)-4-(t-Butyldimethylsiloxymethyl)-4-methyl-7,7-dimethoxy-3-heptanone 
• 131134-34-4 (3S,4S)-4-Methyl-7,7-dimethoxy-4-methoxycarbonyl-3-heptanol 
• 42558-50-9 methyl (S)-3-hydroxyvalerate 
• 109715-81-3 (2S,3S)-3-hydroxy-2-methylpentanoic acid methyl ester 
• 123522-69-0 ((R)-6-Methyl-1,4-dioxa-spiro[4.5]dec-6-yl)-methanol 

Downstream Products

• 117479-69-3 (4S)-2,4-dimethyl-3-(4-hydroxy-3-hydroxymethyl-butyl)-4-hydroxymethyl-2-cyclohexen-1-one 
• 117479-70-6 (4S)-2,4-dimethyl-3-(3,3-bis-methoxycarbonylpropyl)-4-methoxycarbonyl-2-cyclohexen-1-one 

Relevant articles and documents

Enantioselective total synthesis of (+)-cassiol

(Chemical Equation Presented) An enantioselective total synthesis of (+)-cassiol is reported. The complex derived from Pd2(pmdba) 3 and enantiopure t-BuPHOX ligand catalyzes enantioconvergent decarboxylative alkylation to generate the quaternary carbon stereocenter at an early stage. The overall synthetic strategy involves a convergent late-stage coupling of two fragments. The synthesis features a longest linear sequence of eight steps.

A concise synthesis of (+)-cassiol

A synthesis of the anti-ulcerogenic compound (+)-cassiol 1b with 43% overall yield has been achieved. This short and efficient synthesis features the one-pot Julia olefination reaction of lactol (S)-2 with sulfone 3b through the key intermediate (-)-4b.

Toward the development of a general chiral auxiliary. 5. High diastereofacial selectivity in cycloadditions with trienol silyl ethers: An application to an enantioselective synthesis of (-)-cassioside

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