876391-69-4

Basic information

• Product Name: Benzenebutanol, b-methylene-4-octyl-
• CAS NO: 876391-69-4
• Molecular Formula: C19H30O
• Molecular Weight: 274.447
• Mol File: 876391-69-4.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: Benzenebutanol, b-methylene-4-octyl-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenebutanol, b-methylene-4-octyl-(876391-69-4)
• EPA Substance Registry System: Benzenebutanol, b-methylene-4-octyl-(876391-69-4)

Safety Data

• Hazardous Substances Data: 876391-69-4(Hazardous Substances Data)

Upstream product

• 876391-67-2 ((E)-4-Oct-1-enyl)-benzaldehyde 
• 1430811-65-6 C₂₅H₄₄OSi 
• 49763-66-8 4-octylbenzaldehyde 
• 46745-66-8 1-octyl-4-vinylbenzene 
• 183129-84-2 4-(4'-n-octylphenyl)butan-1-ol 
• 13423-48-8 triphenylheptylphosphonium bromide 
• 876391-68-3 2-methylene-4-(4'-octylphenyl)butanal 

Downstream Products

• 1430811-66-7 (S)-2-(4-octylphenethyl)oxirane-2-carboxaldehyde 
• 1430811-67-8 (E)-dimethyl 2-[(R)-2-(4-octylphenethyl)oxiran-2-yl]vinylphosphonate 
• 1430811-68-9 (E)-ethyl 3-[(R)-2-(4-octylphenethyl)oxiran-2-yl]acrylate 
• 1430811-69-0 (S,E)-dimethyl 3-azido-3-(hydroxymethyl)-5-(4-octylphenyl)pent-1-enylphosphonate 
• 1430811-70-3 (R,E)-dimethyl 3-(azidomethyl)-3-hydroxy-5-(4-octylphenyl)pent-1-enylphosphonate 
• 1430811-71-4 (R,E)-ethyl 4-(azidomethyl)-4-hydroxy-6-(4-octylphenyl)hex-2-enoate 
• 1430811-73-6 (S)-5-(4-octylphenethyl)-5-azido-5,6-dihydropyran-2-one 
• 1142015-24-4 (S,E)-dimethyl 3-amino-3-(hydroxymethyl)-5-(4-octylphenyl)pent-1-enylphosphonate 
• 1142015-13-1 (S)-FTY₇₂₀-ene-phosphonate 
• 1430811-61-2 (S,E)-3-azido-3-(hydroxymethyl)-5-(4-octylphenyl)pent-1-enylphosphonic acid 
• 1430811-74-7 (S,E)-dimethyl 3-azido-3-(fluoromethyl)-5-(4-octylphenyl)pent-1-enylphosphonate 
• 1430811-75-8 (S,E)-dimethyl 3-amino-3-(fluoromethyl)-5-(4-octylphenyl)pent-1-enylphosphonate 
• 1430811-59-8 (S,E)-3-amino-3-(fluoromethyl)-5-(4-octylphenyl)pent-1-enylphosphonic acid 
• 1430811-60-1 (S,E)-3-azido-3-(fluoromethyl)-5-(4-octylphenyl)pent-1-enylphosphonic acid 

Relevant articles and documents

Synthesis of (S)-FTY720 vinylphosphonate analogues and evaluation of their potential as sphingosine kinase 1 inhibitors and activators

Sphingosine kinase 1 (SK1) is over-expressed in many cancers where it provides a selective growth and survival advantage to these cells. SK1 is thus a target for anti-cancer agents that can promote apoptosis of cancer cells. In previous work, we synthesized a novel allosteric SK1 inhibitor, (S)-FTY720 vinylphosphonate. We now report a more expeditious route to this inhibitor which features B-alkyl Suzuki coupling as a key step and show that replacement of the amino group in (S)-FTY720 vinylphosphonate with an azido group converts the vinylphosphonate from an allosteric inhibitor to an activator of SK1 at low micromolar concentrations. Our results demonstrate the feasibility of using the (S)-FTY720 vinylphosphonate scaffold to define structure-activity relationships in the allosteric site of SK1.

Enantioselective synthesis of the phosphate esters of the immunosuppressive lipid FTY720

The enantiomers of FTY720-phosphate (3) were synthesized via 2-methylene-4-(4-octylphenyl)butan-1-ol (7), 2,3-epoxy alcohol 8, and Δ2-oxazoline 10. These compounds have potential use in the treatment of autoimmune diseases and prevention of kid