256431-72-8

Basic information

• Product Name: (E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenenitrile
• Synonyms: (E)-3-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-3-QUINOLINYL]-2-PROPENENITRILE;(E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propopenenitrile;(2E)-3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enenitrile;(E)-3-(2-Cyclopropyl-4-(4-fluorophenyl)-quinolin-3-yl)acrylonitrile
• CAS NO: 256431-72-8
• Molecular Formula: C₂₁H₁₅FN₂
• Molecular Weight: 314.36
• EINECS: 1312995-182-4
• Mol File: 256431-72-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 494.251 °C at 760 mmHg
• Flash Point: 252.714 °C
• Appearance: white powder
• Density: 1.264
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.686
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.78±0.50(Predicted)
• CAS DataBase Reference: (E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenenitrile(256431-72-8)
• EPA Substance Registry System: (E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenenitrile(256431-72-8)

Safety Data

• Hazardous Substances Data: 256431-72-8(Hazardous Substances Data)

Usage

General Description

"(E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenenitrile" is a complex organic compound comprised of multiple functional groups and ring structures. Its structure includes a cyclopropyl group (three carbon atoms arranged in a ring), as well as a quinoline group (a fusion of benzene and pyridine rings), which bears a fluorophenyl and a 2-propenenitrile group. Both the fluorophenyl and propenenitrile groups have unique chemical properties: fluorophenyl groups are commonly used in medicinal chemistry for their bioactive properties, while propenenitriles are carbonitrile molecules that contain a carbon-carbon double bond. The chemical was likely synthesized in a laboratory setting for specific scientific research or application. As of now, further information about its source, properties, or use is not readily available in the public sources.

InChI:InChI=1/C21H15FN2/c22-16-11-9-14(10-12-16)20-17-4-1-2-6-19(17)24-21(15-7-8-15)18(20)5-3-13-23/h1-6,9-12,15H,7-8H2/b5-3+

Upstream product

• 2537-48-6 diethyl 1-cyanomethylphosphonate 
• 121660-37-5 2-cyclopropyl-4-(4-fluorophenyl)-3-formylquinoline 
• 121660-43-3 2-cyclopropyl-4-(4-fluoro-phenyl)-6,7-dimethoxy-quinoline-3-carbaldehyde 
• 121660-18-2 [2-cyclopropyl-4-(4-fluoro-phenyl)-6,7-dimethoxy-quinolin-3-yl]-methanol 
• 121660-11-5 2-cyclopropyl-4-(4-fluorophenyl)-3-(hydroxymethyl)quinoline 
• 765-43-5 Cyclopropyl methyl ketone 
• 3800-06-4 2-amino-4'-fluorobenzophenone 

Downstream Products

• 254452-89-6 (E)-(S)-5-[2-Cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3-hydroxy-pent-4-enoic acid (S)-2-hydroxy-1,2,2-triphenyl-ethyl ester 
• 254452-93-2 (E)-(R)-5-[2-Cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3-hydroxy-pent-4-enoic acid (R)-2-hydroxy-1,2,2-triphenyl-ethyl ester 
• 254452-91-0 ethyl 5(S)-(E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-quinolin-3-yl]-5-hydroxy-3-oxo-6-heptenoate 
• 254452-95-4 ethyl 5(R)-(E)-7-[2-cyclopropyl-4-(4-fluorophenyl)-quinolin-3-yl]-5-hydroxy-3-oxo-6-heptenoate 
• 380848-30-6 (E)7-[2-cyclopropyl-4-(4-fluorophenyl)-quinolin-3-yl]-(3S,5S)-dihydroxyhept-6-enic acid ethyl ester 
• 380848-32-8 (E)7-[2-cyclopropyl-4-(4-fluorophenyl)-quinolin-3-yl]-(3R,5R)-dihydroxyhept-6-enic acid ethyl ester 
• 147511-69-1 (E)-(3S,5S)-7-[2-Cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3,5-dihydroxy-hept-6-enoic acid 
• 147511-69-1 (E)-(3R,5R)-7-[2-Cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3,5-dihydroxy-hept-6-enoic acid 
• 254452-90-9 (E)-(S)-5-[2-Cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3-hydroxy-pent-4-enoic acid methyl ester 
• 254452-94-3 (E)-(R)-5-[2-Cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3-hydroxy-pent-4-enoic acid methyl ester 
• 147526-32-7 pitavastatin 
• 254452-86-3 (E)-(3S,5R)-7-[2-Cyclopropyl-4-(4-fluoro-phenyl)-quinolin-3-yl]-3,5-dihydroxy-hept-6-enoic acid 
• 172336-32-2 ethyl (E)-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]hept-6-enoate 
• 172336-32-2 (±)-E-3,5-dihydroxy-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-6-heptenoic acid ethyl ester 

Relevant articles and documents

Diastereoselective synthesis of pitavastatin calcium via bismuth-catalyzed two-component hemiacetal/oxa-Michael addition reaction

An efficient and concise asymmetric synthesis of pitavastatin calcium (1) starting from commercially available (S)-epichlorohydrin is described. A convergent C1 + C6 route allowed for the assembly of the pitavastatin C7 side chain via a Wittig reaction between phosphonium salt 2 and the enantiomerically pure C6-formyl side chain 3. The 1,3-syn-diol acetal motif in 3 was established with excellent stereo control by a diastereoselective bismuth-promoted two-component hemiacetal/oxa-Michael addition reaction of (S)-α,β-unsaturated ketone 4 with acetaldehyde.

First systematic chiral syntheses of two pairs of enantiomers with 3,5-dihydroxyheptenoic acid chain, associated with a potent synthetic statin NK-104

First systematic chiral syntheses of two pairs of enantiomers with 3,5-dihydroxyheptenoic acid chain, associated with a potent synthetic statin NK-104 are reported. A pair of syn diol isomers (NK-104 and its enantiomer) was obtained efficiently by diastereomeric resolution. The synthesis of a pair of anti diol isomers (3-epimer and 5-epimer) was accomplished effectively by the asymmetric aldol reaction followed by anti stereoselective reduction as key steps. Their purity determinations were effected by chiral HPLC analysis.