MedKoo Cat#: 161129 | Name: Ir(III) Octaethylporphine chloride
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Description:

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

Ir(III) Octaethylporphine chloride is a synthetic porphyrin which is seen to be a strong catalyst for intramolecular C-H insertion. Ir(III) Octaethylporphine chloride is also a component of C-O bond cleavage of primary alcohols. Ir(III) Octaethylporphine chloride allows for cellular penetration and sensing cellular O2 concentrations when conjugated to histidine functionalized peptides.

Chemical Structure

Ir(III) Octaethylporphine chloride
Ir(III) Octaethylporphine chloride
CAS#68324-58-3

Theoretical Analysis

MedKoo Cat#: 161129

Name: Ir(III) Octaethylporphine chloride

CAS#: 68324-58-3

Chemical Formula: C37H44ClIrN4O

Exact Mass: 788.2833

Molecular Weight: 788.45

Elemental Analysis: C, 56.36; H, 5.63; Cl, 4.50; Ir, 24.38; N, 7.11; O, 2.03

Price and Availability

Size Price Availability Quantity
50mg USD 985.00 2 Weeks
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Synonym
Ir(III) Octaethylporphine chloride; Ir (III) Octaethylporphine chloride;
IUPAC/Chemical Name
n/a
InChi Key
OMADUDCQGOHOHI-SBYLDBAISA-M
InChi Code
InChI=1S/C36H44N4.CO.ClH.Ir/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;1-2;;/h17-20H,9-16H2,1-8H3;;1H;/q-2;;;+3/p-1/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;
SMILES Code
CCC1=C(CC)C2=N/C1=C\C3=C(CC)C(CC)=C4N3[Ir](Cl)(N5/C(C(CC)=C(CC)/C5=C/C6=N/C(C(CC)=C6CC)=C\4)=C\2)C#O
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 788.45 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.) Lopez-Sanchez, et al. Efficient Intramolecular C–H Insertion Catalyzed by Iridium Porphyrin Complexes. Synlett 2012; 23(17): 2469-2472. 10.1055/s-0032-1317296 2.) Bian, et al. Base-Promoted C–O Bond Cleavage of Primary Alcohols by Iridium(III) Porphyrin Chloride. Organometallics 2020, 39, 8, 1376–1383. https://doi.org/10.1021/acs.organomet.0c00100 3.) Koren, et al. Strongly Phosphorescent Iridium(III)–Porphyrins – New Oxygen Indicators with Tuneable Photophysical Properties and Functionalities. EurJIC, Volume 2011, Issue 10, April 2011, Pages 1531-1534. https://doi.org/10.1002/ejic.201100089 4.) Huckaba, et al. Strategies for Tuning Emission Energy in Phosphorescent Ir(III) Complexes. Comments on Inorganic Chemistry, 37:3, 117-145, 2017. 10.1080/02603594.2016.1207064 5.) Koren, et al. Complexes of IrIII-Octaethylporphyrin with Peptides as Probes for Sensing Cellular O2. ChemBioChem, Volume 13, Issue 8, May 29, 2012, Pages 1184-1190. https://doi.org/10.1002/cbic.201200083