131589-59-8 Usage
Benzoyl group
A functional group containing a benzene ring attached to a carbonyl group, often found in organic compounds such as esters and aromatic ketones.
Hydroxybenzene group
A phenol group containing a hydroxyl (-OH) group attached to a benzene ring, commonly found in compounds with medicinal and antioxidant properties.
Benzothiophene ring
A heterocyclic aromatic compound containing a benzene ring fused with a thiophene ring, which can exhibit unique electronic and chemical properties.
Azido functional group
A group containing three nitrogen atoms bonded in a linear arrangement, commonly used in organic synthesis for introducing nitrogen gas into molecules.
Hydroxyl functional group
A functional group containing a hydroxyl (-OH) group, which imparts properties such as solubility in water and reactivity in organic reactions.
Fluorine atoms
Atoms from the halogen group with unique properties such as high electronegativity and small size, often used to modify the properties of organic molecules.
Potential applications
This compound may be used in pharmaceutical research, materials science, or organic synthesis due to its unique structure, which could impart specific properties or functions.
Careful handling required
Due to the complexity and potentially hazardous nature of the azido group in this compound, expertise and cautious handling protocols are necessary when working with it.
Check Digit Verification of cas no
The CAS Registry Mumber 131589-59-8 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,1,5,8 and 9 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 131589-59:
(8*1)+(7*3)+(6*1)+(5*5)+(4*8)+(3*9)+(2*5)+(1*9)=138
138 % 10 = 8
So 131589-59-8 is a valid CAS Registry Number.
InChI:InChI=1/C21H9F4N3O3S/c22-15-14(16(23)18(25)19(17(15)24)27-28-26)20(31)13-11-6-5-10(30)7-12(11)32-21(13)8-1-3-9(29)4-2-8/h1-7,29-30H
131589-59-8Relevant articles and documents
Synthesis of a Tetrafluoro-Substituted Aryl Azide and Its Protio Analogue as Photoaffinity Labeling Reagents for the Estrogen Receptor
Pinney, Kevin G.,Katzenellenbogen, John A.
, p. 3125 - 3133 (2007/10/02)
A tetrafluoro-substituted aryl azide 1 and its protio analogue 2, both photoaffinity labeling reagents for the estrogen receptor, have been prepared by direct coupling of the appropriately substituted 4-azidobenzoyl chloride with the electron rich C-3 of 6-methoxy-2-(4-methoxyphenyl)benzothiophene 3.This represents a rare example of aryl azide stability under Friedel-Crafts acylation conditions.Alternatively, the protio analogue 2 can also be prepared with the azide functionality masked as a phthaloyl-protected arylamine, and the tetrafluoro analogue 1, by direct displacement of a pentafluoroaryl derivative 20 with NaN3.Solution photolysis of tetrafluoro-substituted aryl azide (bis-methyl ether) 15 and its protio analogue 16 in toluene at 30 deg C results in relatively high yields of products derived from C-H insertion.Both azides 1 and 2 demonstrate favorable relative binding affinity (RBA) (1 = 10percent, 2 = 66percent, estradiol = 100percent) and photoinactivation efficiency (1 = 43percent, 2 = 55percent at 30 min) for the estrogen receptor (ER).The synthesis of both azides has been modified to accommodate a palladium-catalyzed tritium gas hydrogenolysis of an iodoaryl precursor at a late stage in the synthetic sequence, as will be needed to prepare them in radiolabeled form, and this procedure has been verified dy deuteration.This pair of compounds will allow a detailed evaluation of the role that fluorine substitution plays in the photochemistry and photocovalent attachment behavior of aryl azides in a complex biochemical system, the estrogen receptor.The radiosynthesis and further biochemical results will be presented elsewhere.
