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MedKoo Cat#: 145475 | Name: Pocop

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Pocop is a pincer ligand. Pocop is a bisphosphinite pincer backbone. Pocop is stable under intermolecular nucleophilic conditions but cannot survive intramolecular nucleophilic attack. The Pocop pincer backbone is also stable under weak electrophilic conditions but the backbone can be completely destroyed by strong Lewis acids such as AlCl3.

Chemical Structure

Pocop
Pocop
CAS#279214-81-2

Theoretical Analysis

MedKoo Cat#: 145475

Name: Pocop

CAS#: 279214-81-2

Chemical Formula: C30H24O2P2

Exact Mass: 478.1300

Molecular Weight: 478.47

Elemental Analysis: C, 75.31; H, 5.06; O, 6.69; P, 12.95

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Pocop;
IUPAC/Chemical Name
1,3-bis((diphenylphosphanyl)oxy)benzene
InChi Key
PFCIJALLGNUKRS-UHFFFAOYSA-N
InChi Code
1S/C30H24O2P2/c1-5-16-27(17-6-1)33(28-18-7-2-8-19-28)31-25-14-13-15-26(24-25)32-34(29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-24H
SMILES Code
O(P(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC(OP(C4=CC=CC=C4)C5=CC=CC=C5)=CC=C3
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 478.47 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Webster L, Krämer T, Chadwick FM. Synthesis and reactivity of titanium 'POCOP' pincer complexes. Dalton Trans. 2022 Nov 8;51(43):16714-16722. doi: 10.1039/d2dt03291k. PMID: 36285694. 2: Agrawal NK, Gayathridevi S, Dash SR, Vanka K, Jagirdar BR. H-atom site exchange in an iridium trans-dihydrogen/hydride complex, trans-[Ir (H)(η2-H2)(iPr)4(POCOP)(DMAP)]. Dalton Trans. 2023 Oct 10;52(39):13858-13863. doi: 10.1039/d3dt02366d. PMID: 37743752. 3: Timpa SD, Pell CJ, Ozerov OV. A well-defined (POCOP)Rh catalyst for the coupling of aryl halides with thiols. J Am Chem Soc. 2014 Oct 22;136(42):14772-9. doi: 10.1021/ja505576g. Epub 2014 Oct 10. PMID: 25260114. 4: Mao JX, Chang J, Zhang J, Chen X. Structures of nickel chloride and thiolate complexes supported by PCN and POCOP pincer ligands and catalytic reactivity of the chloride complexes. Dalton Trans. 2023 Nov 28;52(46):17485-17492. doi: 10.1039/d3dt03109h. PMID: 37955433. 5: Cao B , Ding Y , Fang F , Chang J , Zhang J , Li S , Chen X . The stability of group 10 metal POCOP pincer complexes: decomposition/reconstruction pathways of the pincer backbone. Dalton Trans. 2019 Sep 17;48(36):13760-13768. doi: 10.1039/c9dt02825k. PMID: 31475715. 6: van Kleef JJ, Dijksterhuis WPM, van den Boorn HG, Prins M, Verhoeven RHA, Gisbertz SS, Slingerland M, Mohammad NH, Creemers GJ, Neelis KJ, Heisterkamp J, Rosman C, Ruurda JP, Kouwenhoven EA, van de Poll-Franse LV, van Oijen MGH, Sprangers MAG, van Laarhoven HWM; Dutch Upper GI Cancer Group (DUCG). Prognostic value of patient-reported quality of life for survival in oesophagogastric cancer: analysis from the population-based POCOP study. Gastric Cancer. 2021 Nov;24(6):1203-1212. doi: 10.1007/s10120-021-01209-1. Epub 2021 Jul 12. PMID: 34251543; PMCID: PMC8502147. 7: Press LP, Kosanovich AJ, McCulloch BJ, Ozerov OV. High-Turnover Aromatic C-H Borylation Catalyzed by POCOP-Type Pincer Complexes of Iridium. J Am Chem Soc. 2016 Aug 3;138(30):9487-97. doi: 10.1021/jacs.6b03656. Epub 2016 Jul 20. PMID: 27327895. 8: Pandarus V, Zargarian D. New pincer-type diphosphinito (POCOP) complexes of NiII and NiIII. Chem Commun (Camb). 2007 Mar 7;(9):978-80. doi: 10.1039/b613812h. Epub 2006 Dec 12. PMID: 17311140. 9: Jezerskyte E, van Berge Henegouwen MI, van Laarhoven HWM, van Kleef JJ, Eshuis WJ, Heisterkamp J, Hartgrink HH, Rosman C, van Hillegersberg R, Hulshof MCCM, Sprangers MAG, Gisbertz SS; Dutch UpperGI Cancer Group. Postoperative Complications and Long-Term Quality of Life After Multimodality Treatment for Esophageal Cancer: An Analysis of the Prospective Observational Cohort Study of Esophageal-Gastric Cancer Patients (POCOP). Ann Surg Oncol. 2021 Nov;28(12):7259-7276. doi: 10.1245/s10434-021-10144-5. Epub 2021 May 25. PMID: 34036429; PMCID: PMC8519926. 10: Arroyave A, Cui S, Lopez JC, Kocen AL, LaPointe AM, Delferro M, Coates GW. Catalytic Chemical Recycling of Post-Consumer Polyethylene. J Am Chem Soc. 2022 Dec 28;144(51):23280-23285. doi: 10.1021/jacs.2c11949. Epub 2022 Dec 16. PMID: 36524740. 11: Ghosh M, Parvin N, Panwaria P, Tothadi S, Bakthavatsalam R, Therambram A, Khan S. Diverse structural reactivity patterns of a POCOP ligand with coinage metals. Dalton Trans. 2024 May 7;53(18):7763-7774. doi: 10.1039/d3dt03921h. PMID: 38619861. 12: Ma N, Tu C, Xu Q, Guo W, Zhang J, Zhang G. Computational study on the mechanism of hydroboration of CO2 catalysed by POCOP pincer nickel thiolate complexes: concerted catalysis and hydride transfer by a shuttle. Dalton Trans. 2021 Mar 2;50(8):2903-2914. doi: 10.1039/d0dt04345a. PMID: 33555280. 13: Salah AB, Zargarian D. The impact of P-substituents on the structures, spectroscopic properties, and reactivities of POCOP-type pincer complexes of nickel(II). Dalton Trans. 2011 Sep 21;40(35):8977-85. doi: 10.1039/c1dt10381d. Epub 2011 Jun 24. PMID: 21701766. 14: Morales-Morales D, Sánchez-Mora A, Briñez E, Pico A, González-Sebastián L, Cruz-Navarrro A, Arenaza-Corona A, Puentes-Díaz N, Alí-Torres J, Reyes-Márquez V. Synthesis of para-Acetylated Functionalized Ni(II)-POCOP Pincer Complexes and Their Cytotoxicity Evaluation Against Human Cancer Cell Lines. Chem Biodivers. 2024 Jul 13:e202400995. doi: 10.1002/cbdv.202400995. Epub ahead of print. PMID: 39001660. 15: Xue MM, Chang J, Zhang J, Chen X. Platinum thiolate complexes supported by PBP and POCOP pincer ligands as efficient catalysts for the hydrosilylation of carbonyl compounds. Dalton Trans. 2022 Feb 8;51(6):2304-2312. doi: 10.1039/d1dt04179g. PMID: 35041735. 16: Joksch M, Spannenberg A, Beweries T. Inter-molecular hydrogen bonding in isostructural pincer complexes [OH-( t-BuPOCOP t-Bu)MCl] (M = Pd and Pt). Acta Crystallogr E Crystallogr Commun. 2019 Jun 21;75(Pt 7):1011-1014. doi: 10.1107/S2056989019008491. PMID: 31392015; PMCID: PMC6659334. 17: Kuijper SC, Besseling J, Klausch T, Slingerland M, van der Zijden CJ, Kouwenhoven EA, Beerepoot LV, Mohammad NH, Klarenbeek BR, Verhoeven RHA, van Laarhoven HWM. Assessing real-world representativeness of prospective registry cohorts in oncology: insights from patients with esophagogastric cancer. J Clin Epidemiol. 2023 Dec;164:65-75. doi: 10.1016/j.jclinepi.2023.10.009. Epub 2023 Oct 21. PMID: 37871837. 18: Wilson GL, Abraha M, Krause JA, Guan H. Reactions of phenylacetylene with nickel POCOP-pincer hydride complexes resulting in different outcomes from their palladium analogues. Dalton Trans. 2015 Jul 21;44(27):12128-36. doi: 10.1039/c5dt00161g. PMID: 25773963. 19: Leforestier B , Gyton MR , Chaplin AB . Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands. Dalton Trans. 2020 Feb 21;49(7):2087-2101. doi: 10.1039/c9dt04835a. Epub 2020 Feb 7. PMID: 32031194. 20: Ding Y , Ma QQ , Kang J , Zhang J , Li S , Chen X . Palladium(ii) complexes supported by PBP and POCOP pincer ligands: a comparison of their structure, properties and catalytic activity. Dalton Trans. 2019 Dec 3;48(47):17633-17643. doi: 10.1039/c9dt03954f. PMID: 31755493.