30626-03-0

Basic information

• Product Name: 3-Buten-2-one, 4-(4-chlorophenyl)-, (3E)-
• Synonyms: 1-(4'-chlorophenyl)-but-1-en-3-one;trans-4-(4-chlorophenyl)-3-buten-2-one;(3E)-4-(4-chlorophenyl)but-3-en-2-one;(3E)-4-(4'-chlorophenyl)but-3-en-2-one;trans-4-(4-chlorophenyl)but-3-en-2-one;(E)-4-(4-Chloro-phenyl)-but-3-en-2-one;(3E)-4-(4-chlorophenyl)-but-3-en-2-one
• CAS NO: 30626-03-0
• Molecular Formula: C10H9ClO
• Molecular Weight: 180.634
• Mol File: 30626-03-0.mol
• Article Data: 87

Chemical Properties

• Melting Point: 53.8 - 54.9 °C
• Boiling Point: 302.0±17.0 °C(Predicted)
• Density: 1.157±0.06 g/cm3(Predicted)
• CAS DataBase Reference: 3-Buten-2-one, 4-(4-chlorophenyl)-, (3E)-(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Buten-2-one, 4-(4-chlorophenyl)-, (3E)-(30626-03-0)
• EPA Substance Registry System: 3-Buten-2-one, 4-(4-chlorophenyl)-, (3E)-(30626-03-0)

Safety Data

• Hazardous Substances Data: 30626-03-0(Hazardous Substances Data)

Upstream product

• 674-82-8 4-methyleneoxetan-2-one 
• 104-88-1 4-chlorobenzaldehyde 
• 876-27-7 4-chlorophenyl acetate 
• 32271-56-0 (E)-4-(4-chlorophenyl)but-3-en-2-ol 
• 50789-59-8 3-chloro-4-(4-chlorophenyl)-2-butanone 
• 909413-28-1 N-t-butyl-12-(4-chlorophenyl)-5,6,7,12-tetrahydrodibenz[c,f][1,5]azastibocine 
• 78-94-4 methyl vinyl ketone 
• 35086-79-4 cinnamoyl chloride 
• 1075-77-0 (E)-4-chlorocinnamic aldehyde 
• 3506-75-0 4-(4-chlorophenyl)butan-2-one 
• 108-24-7 acetic anhydride 
• 88691-45-6 (E)-[2-(4-chlorophenyl)ethenyl]trimethylsilane 
• 117184-95-9 4-(4-chlorophenyl)-4-hydroxybutan-2-one 
• 14506-33-3 1-(4-chlorophenyl)but-3-en-1-ol 

Downstream Products

• 18278-29-0 (1E,4E)-1,5-bis(4-chlorophenyl)-1,4-pentadiene-3-one 
• 912817-44-8 (2S,5S,1'S)-2-(tert-butyl)-5-(1-p-chlorophenyl-3-oxobutyl)-5-phenyl-1,3-dioxolan-4-one 
• 388606-91-5 4-(4-chlorophenyl)-5-[4-(methylthio)phenyl]pentane-2,5-dione 
• 1056017-57-2 diethyl 2-((S)-1-(4-chlorophenyl)-3-oxobutyl)malonate 
• 1262424-40-7 C₂₅H₁₉ClO₃ 

Relevant articles and documents

Design, green synthesis, antioxidant activity screening, and evaluation of protective effect on cerebral ischemia reperfusion injury of novel monoenone monocarbonyl curcumin analogs

Antioxidants with high efficacy and low toxicity have the potential to treat cerebral ischemia reperfusion injury (CIRI). Dienone monocarbonyl curcumin analogs (DMCA) capable of overcoming the instability and pharmacokinetic defects of curcumin possess notable antioxidant activity but are found to be significantly toxic. In this study, a novel skeleton of the monoenone monocarbonyl curcumin analogue sAc possessing reduced toxicity and improved stability was designed on the basis of the DMCA skeleton. Moreover, 32 sAc analogs were obtained by applying a green, simple, and economical synthetic method. Multiple sAc analogs with an antioxidant protective effect in PC12 cells were screened using an H2O2-induced oxidative stress damage model, and quantitative evaluation of structure–activity relationship (QSAR) model with regression coefficient of R2 = 0.918921 was built through random forest algorithm (RF). Among these compounds, the optimally active compound sAc15 elicited a potent protective effect on cell growth of PC12 cells by effectively eliminating ROS generation in response to oxidative stress injury by activating the Nrf2/HO-1 antioxidant signaling pathway. In addition, sAc15 exhibited good protection against CIRI in the mice middle cerebral artery occlusion (MCAO) model. In this paper, we provide a novel class of antioxidants and a potential compound for stroke treatment.

Sequential Two-Step Stereoselective Amination of Allylic Alcohols through the Combination of Laccases and Amine Transaminases

A sequential two-step chemoenzymatic methodology for the stereoselective synthesis of (3E)-4-(het)arylbut-3-en-2-amines in a highly selective manner and under mild reaction conditions is described. The approach consists of oxidation of the corresponding racemic alcohol precursors by the use of a catalytic system made up of the laccase from Trametes versicolor and the oxy-radical TEMPO, followed by the asymmetric reductive bio-transamination of the corresponding ketone intermediates. Optimisation of the oxidation reaction, exhaustive amine transaminase screening for the bio-transaminations and the compatibility of the two enzymatic reactions were studied in depth in search of a design of a compatible sequential cascade. This synthetic strategy was successful and the combinations of enzymes displayed a broad substrate scope, with 16 chiral amines being obtained in moderate to good isolated yields (29–75 %) and with excellent enantiomeric excess values (94 to >99 %). Interestingly, both amine enantiomers can be achieved, depending on the selectivity of the amine transaminase employed in the system.

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