5897-46-1

Basic information

• Product Name: 2-({4-chloro-6-[4-(cyclopropylcarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-cyclohexylacetamide
• CAS NO: 5897-46-1
• Molecular Formula: C₆H₁₂O₂S
• Molecular Weight: 452.0132
• Mol File: 5897-46-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 699.2°C at 760 mmHg
• Flash Point: 376.7°C
• Density: 1.33g/cm³
• Vapor Pressure: 2.12E-19mmHg at 25°C
• Refractive Index: 1.625
• CAS DataBase Reference: 2-({4-chloro-6-[4-(cyclopropylcarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-cyclohexylacetamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-({4-chloro-6-[4-(cyclopropylcarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-cyclohexylacetamide(5897-46-1)
• EPA Substance Registry System: 2-({4-chloro-6-[4-(cyclopropylcarbonyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl}sulfanyl)-N-cyclohexylacetamide(5897-46-1)

Safety Data

• Hazardous Substances Data: 5897-46-1(Hazardous Substances Data)

Upstream product

• 563-79-1 2,3-Dimethyl-2-butene 
• 16215-14-8 allyl methyl sulfone 
• 503-60-6 3,3-dimethyl-allyl chloride 
• 5897-45-0 γ,γ,-dimethylallyl methyl sulfide 
• 3680-02-2 methyl ethenyl sulphone 
• 40137-11-9 diethyl methylsulfonylmethylphosphonate 
• 78-84-2 isobutyraldehyde 
• 73082-88-9 3-methanesulfonyl-3-methyl-but-1-ene 

Downstream Products

• 84602-89-1 2-methyl-4-(methylsulphonyl)-5-phenyl-2-pentene 

Relevant articles and documents

Bimolecular Cross-Metathesis of a Tetrasubstituted Alkene with Allylic Sulfones

Exquisite control of catalytic metathesis reactivity is possible through ligand-based variation of ruthenium carbene complexes. Sterically hindered alkenes, however, remain a generally recalcitrant class of substrates for intermolecular cross-metathesis.

1,3-Rearrangement of allylic sulphones: Rearrangement-cyclisation of allylic 4-pentenyl sulphones

Allylic alkyl sulphones CH2:CHC(Me)2SO2R (R=Me, Et, iPr, tBu, CH2SiMe3, CH2CH2SiMe3, and CH2CH(OH)Me underwent 1,3-rearrangement on treatment with benzoyl peroxide in tBuOH. 1,3-Rearrangement did not occur in cases (R=CH2Ph, CH2COMe) where the intermediate sulphonyl radical RSO2· could undergo loss of sulphur dioxide to form a resonance-stabilised alkyl radical. Allylic 4-pentenyl sulphones undergo rearrangement with accompanying cyclisation of the intermediate radical, this process is more efficient if the allylic sulphone bears an electron withdrawing group at the β-position.

Synthesis of α,β-γ,δ-unsaturated sulfones and sulfoxides via the Horner-Emmons reaction

α,β-γ,δ-Unsaturated sulfones and sulfoxides have been prepared via the Horner-Emmons reaction of α,β-unsaturated carbonyl compounds with α-phosphoryl sulfones and sulfoxides.