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4-iodobicyclo<2.2.2>octane-1-carboxylic acid is a synthetic chemical compound with the molecular formula C9H13IO2. It is a white crystalline solid that is soluble in organic solvents such as ethanol, acetone, and dichloromethane. 4-iodobicyclo<2.2.2>octane-1-carboxylic acid is primarily used as an intermediate in the synthesis of various pharmaceuticals and agrochemicals, particularly in the production of certain pesticides and drugs. Due to its unique structure and properties, it has attracted significant interest in the field of organic chemistry and drug development.

80745-61-5

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80745-61-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 80745-61-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 8,0,7,4 and 5 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 80745-61:
(7*8)+(6*0)+(5*7)+(4*4)+(3*5)+(2*6)+(1*1)=135
135 % 10 = 5
So 80745-61-5 is a valid CAS Registry Number.

80745-61-5Relevant academic research and scientific papers

BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS

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Paragraph 0438-0439, (2019/05/15)

The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts or solvates thereof, wherein all the variables are as defined herein. These compounds modulate the activity of farnesoid X receptor

Design, synthesis, radiolabeling, and in vitro and in vivo evaluation of bridgehead iodinated analogues of N -{2-[4-(2-methoxyphenyl)piperazin-1-yl] ethyl}- N -(pyridin-2-yl)cyclohexanecarboxamide (WAY-100635) as potential SPECT ligands for the 5-HT1A receptor

Al Hussainy, Rana,Verbeek, Joost,Van Der Born, Dion,Braker, Anton H.,Leysen, Josée E.,Knol, Remco J.,Booij, Jan,Herscheid

, p. 3480 - 3491 (2011/07/07)

Here we describe the design, synthesis, and pharmacological profile of 5-HT1A receptor ligands related to 1 (WAY-100635). The cyclohexyl moiety in 1 and its O-desmethylated analogue 3 were replaced by the bridgehead iodinated bridge-fused rings: adamantyl, cubyl, bicyclo[2.2.2]octyl, or bicyclo[2.2.1]heptyl. All analogues displayed a (sub)nanomolar affinity for the 5-HT1A receptor in vitro. Compounds 6b and 7b appeared to be selective for this receptor over other relevant receptors and could easily be iodinated with radioactive iodine-123. In humane hepatocytes, [ 123I]6b showed a low propensity for amide hydrolysis and a stable carbon-iodine bond. The biodistribution of [123I]6b and [ 123I]7b in rats revealed that the carbon-iodine bond was also stable in vivo. Unfortunately, the brain uptake and the specificity for both radioligands were significantly lower than those of the parent molecule 1. In conclusion, the designed tracers are not suitable for SPECT imaging.

Polar Substituent Effects on 19F Chemical Shifts of Aryl and Vinyl Fluorides: A Fluorine-19 Nuclear Magnetic Resonance Study of Some 1,1-Difluoro-2-(4-substituted-bicyclooct-1-yl)ethenes

Adcock, William,Kok, Gaik B.

, p. 1079 - 1087 (2007/10/02)

An extensive series of 1,1-difluoro-2-(4-substituted-bicyclooct-1-yl)ethenes (2) covering a diverse range of substituents ( X = H, NO2, CN, CF3, COOCH3, F, Cl, Br, OCH3, C6H5, C2H, C2Si(CH3)3, CH3, and C(CH3)3) have been synthesized and their 19F N

Substituent Effects on Electroreduction of the Carbon-Halogen Bond

Abeywickrema, Ramyani S.,Della, Ernest W.

, p. 2331 - 2337 (2007/10/02)

Polarographic reduction of a series of 4-substituted 1-iodobicyclooctanes has been examined in an attempt to assess the effect of substituents on the half-wave reduction potential.It is found that the values of E1/2 do not show a linear correlation with the relevant ?I constants; the deviations are discussed in terms of the relative importance of the steric and electric field effects of the substituent.Controlled-potential electrolysis of a number of the substrates reveals that the hydrocarbon corresponding to fission of the carbon-iodine bond is formed in high yield.

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