5274-51-1

Basic information

• Product Name: (4S,4aS,8aR)-1-(phenylcarbonyl)decahydroquinolin-4-yl benzoate
• CAS NO: 5274-51-1
• Molecular Formula: C₆H₄BrCl₂P
• Molecular Weight: 363.4495
• Mol File: 5274-51-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 520.9°C at 760 mmHg
• Flash Point: 268.8°C
• Density: 1.21g/cm³
• Vapor Pressure: 5.96E-11mmHg at 25°C
• Refractive Index: 1.609
• CAS DataBase Reference: (4S,4aS,8aR)-1-(phenylcarbonyl)decahydroquinolin-4-yl benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: (4S,4aS,8aR)-1-(phenylcarbonyl)decahydroquinolin-4-yl benzoate(5274-51-1)
• EPA Substance Registry System: (4S,4aS,8aR)-1-(phenylcarbonyl)decahydroquinolin-4-yl benzoate(5274-51-1)

Safety Data

• Hazardous Substances Data: 5274-51-1(Hazardous Substances Data)

Usage

Description

(4S,4aS,8aR)-1-(phenylcarbonyl)decahydroquinolin-4-yl benzoate is a complex chemical compound characterized by its unique molecular structure. It features a decahydroquinolin-4-yl group connected to a benzoate group via a carbonyl linkage, with an additional phenyl group attached to the carbonyl carbon atom. (4S,4aS,8aR)-1-(phenylcarbonyl)decahydroquinolin-4-yl benzoate may hold potential applications in the fields of pharmaceuticals or materials science, although further research and testing are required to ascertain its specific properties and uses.

Uses

Used in Pharmaceutical Applications:
(4S,4aS,8aR)-1-(phenylcarbonyl)decahydroquinolin-4-yl benzoate is used as a potential therapeutic agent for [application reason] due to its complex molecular structure and the presence of bioactive functional groups. Its specific application within the pharmaceutical industry would depend on the results of further research and testing.
Used in Materials Science Applications:
In the field of materials science, (4S,4aS,8aR)-1-(phenylcarbonyl)decahydroquinolin-4-yl benzoate is used as a component in the development of [application type] for [application reason]. (4S,4aS,8aR)-1-(phenylcarbonyl)decahydroquinolin-4-yl benzoate's unique structure and properties may contribute to the creation of novel materials with specific characteristics, pending further investigation and experimentation.

Upstream product

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Downstream Products

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Relevant articles and documents

Platinum complexes of a borane-Appended Analogue of 1,1'-Bis(diphenylphosphino)ferrocene: Flexible borane coordination modes and in situ vinylborane formation

A bis(phosphine)borane ambiphilic ligand, [Fe(h5-C5H4PPh2)(h5-C5H4PtBu{C6H4 (BPh2)-ortho})] (FcPPB), in which the borane occupies a terminal posi

Novel palladium complexes employing mixed phosphine phosphonates and phosphine phosphinates as anionic chelating [P,O] ligands

A route to various substituted phosphine phosphonic acid compounds of the general form Ar2PC6H4PO(OH)2 (Ar = Ph, o-MeC6H4, o-MeOC6H4) has been investigated. These comp

Carbonylvanadium, -manganese and -molybdenum Complexes of the Ligands o-C6H4EPh2(E'Ph2) (E, E' = P, As, Sb, Bi) and cis-Ph2PCH=CHPPh2

The photo-induced reaction between the complexes (1), η5-C5H5V(CO)4 (2), η5-C5H5Mn(CO)3 (3) or η5-C5H5Mo(CO)3CH3 (4) and the ligands o-C6H4EPh2(E'Ph2) (E = E' = P: a; E = P, E' = As: b; E = E' = As: c; E = P, E' = Sb: d; E = P, E' = Bi: e; E = As, E' = Sb: f) and cis-Ph2PCH=CHPPh2 (g), L, yields - depending on the steric requirement of L - the compounds L ( = cis-V(CO)4(-), cis-CpV(CO)2, CpMn(CO), CpMo(CO)CH3; L = a, b, c, g), L ( = V(CO)5(-), L = d; = CpV(CO)3, L = d, e; = CpMn(CO)2, L = e) or mixtures of L and L (, = V(CO)4,5, L = e, f; , = CpV(CO)2,3, L = f).In the mono-substituted species L coordination (as indicated by the 51V NMR spectra) occurs through EPh2 and E'Ph2, which is explained by a reaction path via a lable chelate 5-ring structure.Shielding of the 51V nucleus decreases in the order g > SbPh2 > PPh2 > AsPh2 > BiPh2 (derivatives of 1) and g > SbPh2 > PPh2 > BiPh2 > AsPh2 (derivatives of 2), and is smaller in the rigid chelates incorporating the o-phenylene ligands than in the more flexible structures of phospha- and arsabutane complexes.This fact is discussed in terms of hindered ?-overlap due to distortion of the EVE angle, which also results in an increase of CO valence force constants in rigid chelates. 31P coordination shifts increase according to dppe a g and arphos b (dppe = Ph2P(CH2)2PPh2, arphos = Ph2As(CH2)2PPh2). 31P NMR spectra of the molybdenum complexes suggest that the basic geometry for 4a and 4b likely is tetragonal pyramidal, while the preferred structure for 4g appears to be the trigonal bipyramid with the ligand in equatorial positions.The crystal and molecular structure of 1a is reported.The complex crystallizes in the space group C2/c (a = 2196.0, b = 1080.1, c = 2022.7 pm, β = 124.6 deg).The most striking result is the small PVP angle of 80.8 (0.2) deg.Optimized methods for the synthesis of the ligands a-f are described; the ligands are characterized by their mass spectra. - Keywords: Carbonylphosphinevanadium, Vanadium-NMR; Phosphorus-NMR