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122406-45-5

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  • Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol,5,11,17,23-tetrakis(1,1-dimethylethyl)-26,28-dimethoxy-

    Cas No: 122406-45-5

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122406-45-5 Usage

Chemical Properties

white powder

Check Digit Verification of cas no

The CAS Registry Mumber 122406-45-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,2,4,0 and 6 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 122406-45:
(8*1)+(7*2)+(6*2)+(5*4)+(4*0)+(3*6)+(2*4)+(1*5)=85
85 % 10 = 5
So 122406-45-5 is a valid CAS Registry Number.
InChI:InChI=1/C46H60O4/c1-43(2,3)35-19-27-15-31-23-37(45(7,8)9)25-33(41(31)49-13)17-29-21-36(44(4,5)6)22-30(40(29)48)18-34-26-38(46(10,11)12)24-32(42(34)50-14)16-28(20-35)39(27)47/h19-26,47-48H,15-18H2,1-14H3

122406-45-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,3-DIMETHOXY-4-TERT-BUTYLCALIX(4)ARENE

1.2 Other means of identification

Product number -
Other names 5,11,17,23-tetrakis(1,1-dimethylethyl)-25,27-dihydroxy-26,28-dimethoxycalix[4]arene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:122406-45-5 SDS

122406-45-5Relevant articles and documents

Selective etherification of calix[4]arenes

Wang, Wen-Guang,Zheng, Qi-Yu,Huang, Zhi-Tang

, p. 3711 - 3718 (1999)

Calix[4]arenes 1 or 2 react with alkyl halides and aqueous potassium hydroxide in the presence of PEG as phase transfer catalyst at room temperature to give the selectively distally dietherified product 3 or 4 in excellent yields. While at the same reacti

Calorimetric investigation of nano-basket's binding

Mokhtari, Bahram,Pourabdollah, Kobra

, p. 13 - 18 (2013)

Eleven scaffolds of di-ionizable calix[4]arene conformers bearing two pendant groups of N-phenyl-sulfonyl carboxamides were synthesized and examined using isothermal titration calorimetry. The binding mechanisms of those conformers towards alkali metal ca

Synthesis of novel calix[4]arene: P -benzazole derivatives and investigation of their DNA binding and cleavage activities with molecular docking and experimental studies

Aksakal, Fatma,Ozkan, Seyda Cigdem,Yilmaz, Aydan

, p. 38695 - 38708 (2020)

In this study, novel p-benzimidazole-derived calix[4]arene compounds with different structures, and a benzothiazole-derived calix[4]arene compound, were synthesized by a microwave-assisted method and their structures were determined by FTIR, 1H NMR, 13C NMR, MALDI-TOF mass spectroscopy, and elemental analysis. The effects of functional calixarenes against bacterial (pBR322 plasmid DNA) and eukaryotic DNA (calf thymus DNA = CT-DNA) were investigated. The studies with plasmid DNA have shown that compounds 6 and 10 containing methyl and benzyl groups, respectively, have DNA cleavage activity at the highest concentrations (10 000 μM). Interactions withplasmid DNA using some restriction enzymes (BamHI and HindIII) were also investigated. The binding ability of p-substituted calix[4]arene compounds towards CT-DNA was examined using UV-vis and fluorescence spectroscopy and it was determined that some compounds showed efficiency. In particular, itwas observed that the functional compounds (10 and 5) containing benzyl and chloro-groups had higher activity (Kb binding constants were found to be 7.1 × 103 M-1 and 9.3 × 102 M-1 respectively) on DNA than other compounds. Competitive binding experiments using ethidium bromide also gave an idea about the binding properties. Docking studies of the synthesized compounds with DNA were performed to predict the binding modes, affinities and noncovalent interactions stabilizing the DNA-compound complexes at the molecular level. Docking results were in good agreement with the experimental findings on the DNA binding activities of compounds. Based on these results, this preliminary study could shed light on future experimental antibacterial and/or anticancer research.

Ring a bell: Disubstituted calix[4]arene as ligand for transition metal chlorides

Crochet, Aurelien,Fromm, Katharina M.

, p. 610 - 616 (2013)

Lower rim 1,3-disubstituted p-tert-butylcalix[4]arene is studied here in its deprotonated form as complexing ligand for iron and chromium chloride. Crystallization of the two complexes from dry THF gives two different stoichiometries and structures, a trinuclear iron compound and a second, mononuclear structure with chromium. In both cases, the ligand adopts an elliptical shape and the metal ions are bound to the lower rim of the calixarene molecule.

Evaluation of calix[4]arene-based chiral diphosphite ligands in Rh-catalyzed asymmetric hydrogenation of simple dehydroamino acid derivatives

Liu, Shasha,Sandoval, Christian A.

, p. 65 - 72 (2010)

The versatile calix[4]arene framework yielded chiral diphosphite ligands applicable for Rh-catalyzed asymmetric hydrogenation of dehydroamino acid derivatives. Optimum efficiency was obtained for: R1 =-C(CH 3)3; R2/s

Single step synthesis of novel hybrid fluorescence probe for selective recognition of Pr(III) and As(III) from soil samples

Sutariya, Pinkesh G.,Soni, Heni,Gandhi, Sahaj A.

, (2020)

Herein, the synthesis and evaluation of a novel CHEF-PET fluorescence sensor L, based on calix[4]arene comprising two 1-Naphthoicacid groups as binding sites, is described. The selective nature of this fluorescence probe towards Pr3+ and As3+ has been investigated by emission titration, UV–vis titration, 1H NMR spectroscopy, FT-IR, PXRD and ESI-MS investigation. The linear concentration range at pH 3.5 of L for Pr3+ and As3+ is 0–120 nM and 0–145 nM respectively with the detection limit of 1.45 nM for Pr3+ and 1.91 nM for As3+. Through Benesi-Hildebrand equation, the binding ability was found to be 7.377 × 108 M?1 for Pr3+ and 7.842 × 108 M?1 for As3+. The MOPAC-2016 software package has been used to optimize the L using PM7 and the molecular docking study has been carried out using HEX software.

Titanacalixarenes in homogeneous catalysis: Synthesis, conformation and catalytic activity in ethylene polymerisation

Espinas, Jeff,Darbost, Ulrich,Pelletier, Jeremie,Jeanneau, Erwan,Duchamp, Christian,Bayard, Francois,Boyron, Olivier,Broyer, Jean-Pierre,Thivolle-Cazat, Jean,Basset, Jean-Marie,Taoufik, Mostafa,Bonnamour, Isabelle

, p. 1349 - 1359 (2010)

Variously substituted titanacalixarenes were synthesised and tested for their performance as catalysts in ethylene polymerisation: p-tert-butylcalix[4] arene was derivatised to afford distal diether p-tert-butylcalix[4]arenes L1-L4, distal dihydroxy-depleted L5, proximal dihydroxy-depleted L6, proximal diether p-tert-butylcalix[4]arene L7, proximal intra-bridged disiloxane L8 and proximal monoether L9. (Dichlorotitana)-p-tert-butylcalix[4]arenes 1-8 and (monochlorotitana)-p-tertbutylcalix[4]arene 9 have been successfully synthesised by reacting L1-L4 with TiCl4·2THF or L5-L9 with TiCl 4. The structural conformation of complexes 1-9 in solution were determined by 1H NMR, 13C NMR, NOESY and COSY spectroscopic studies. Compounds 2, 3 and 4 have been structurally characterised by single-crystal X-ray diffraction. Upon activation with methylaluminoxane, compounds 1-8 revealed low to moderate activities for the production of high-density polyethylene (HDPE) to ultra-high-molecular-weight polyethylene (UHMWPE). 6/MAO gave the best activity at 770 kgPE(molTi) -1h-1.

Single-step fluorescence recognition of As3+, Nd3+ and Br? using pyrene-linked calix[4]arene: application to real samples, computational modelling and paper-based device

Sutariya, Pinkesh G.,Soni, Heni,Gandhi, Sahaj A.,Pandya, Alok

, p. 737 - 747 (2019/01/09)

A new fluorescence sensor, namely, TDPC, which is composed of a pyrene group connected to calix[4]arene as the fluorogenic unit, has been synthesized, characterized and analyzed with regard to its selective sensing ability for As3+ (0-150 nM), Nd3+ and Br? (0-120 nM), with detection limits of 11.53 nM, 0.65 nM and 11.25 nM, respectively. The binding constant (Ks) was found to be 7.842 × 108 M?1 for As3+, 6.877 × 108 M?1 for Nd3+ and 6.311 × 108 M?1 for Br?. Furthermore, we report an easy-to-use, low-cost and disposable paper-based sensing device for rapid chemical screening of As3+, Nd3+ and Br?. The device comprises a luminescent sensing probe embedded in a cellulose matrix in which resonance energy transfer seems to be the sensing mechanism. It opens up new opportunities for simple and fast screening in remote settings where sophisticated instrumentation is not always available. The MOPAC2016 software package was used to optimize TDPC using the well-established PM7 method, and the HOMO-LUMO energy band gap was calculated for TDPC and TDPC with structures based on As3+, Nd3+ and Br? ions. To determine the influence of different metal ions on TDPC, a molecular docking study was carried out using HEX software. Furthermore, to assess its analytical applicability, the prepared sensor was successfully used for the analysis of two different real samples (an industrial soil sample for Nd3+ and industrial waste water for As3+ and Br?) to validate the proposed method, with recoveries of ions of 95-99%.

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