MedKoo Cat#: 161134 | Name: PPN78671
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Description:

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

PPN78671, also known as meso-Tetra (2-carboxyphenyl) porphine tetramethyl ester is a synthetic porphyrin product sold as a mixture of atropisomers. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming)

Chemical Structure

PPN78671
PPN78671
CAS#123878-67-1

Theoretical Analysis

MedKoo Cat#: 161134

Name: PPN78671

CAS#: 123878-67-1

Chemical Formula: C52H38N4O8

Exact Mass: 846.2690

Molecular Weight: 846.90

Elemental Analysis: C, 73.75; H, 4.52; N, 6.62; O, 15.11

Price and Availability

Size Price Availability Quantity
50mg USD 690.00 2 Weeks
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Related CAS #
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Synonym
PPN78671; PPN 78671; PPN-78671; meso-Tetra (2-carboxyphenyl) porphine tetramethyl ester;
IUPAC/Chemical Name
tetramethyl 2,2',2'',2'''-(porphyrin-5,10,15,20-tetrayl)tetrabenzoate
InChi Key
PIJKZTPYBRFGDO-PJEPRTEXSA-N
InChi Code
InChI=1S/C52H38N4O8/c1-61-49(57)33-17-9-5-13-29(33)45-37-21-23-39(53-37)46(30-14-6-10-18-34(30)50(58)62-2)41-25-27-43(55-41)48(32-16-8-12-20-36(32)52(60)64-4)44-28-26-42(56-44)47(40-24-22-38(45)54-40)31-15-7-11-19-35(31)51(59)63-3/h5-28,53,56H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
SMILES Code
COC(C1=C(/C2=C(C=C/3)/NC3=C(C4=C(C=CC=C4)C(OC)=O)/C(C=C/5)=NC5=C(C6=C(C=CC=C6)C(OC)=O)/C(N7)=CC=C7/C(C8=C(C=CC=C8)C(OC)=O)=C9N=C2C=C\9)C=CC=C1)=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 846.90 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.) Kasemthaveechok, et al. Remote ion-pair interactions in Fe-porphyrin-based molecular catalysts for the hydrogen evolution reaction. Catal. Sci. Technol., 2019,9, 1301-1308. https://doi.org/10.1039/C8CY02164C 2.) Ambre, et al. Molecular engineering for efficient and selective iron porphyrin catalysts for electrochemical reduction of CO2 to CO. Chem. Commun., 2016,52, 14478-14481. https://doi.org/10.1039/C6CC08099E 3.) Tsutomu, et al. A New Picket-Fence Porphyrin Precursor. Synthesis and Atropisomerism of Free Base and Zinc Complex of meso-Tetra(o-methoxycarbonylphenyl)porphyrin. Chemistry Letters. 1992, Vol. 21, No. 1. https://doi.org/10.1246/cl.1992.37 4.) Leondiadis, et al. 5,10,15,20-Tetrakis(.alpha.,.alpha.,.alpha.,.alpha.-o-(N-tert-butyl-carbamoyl)phenyl)porphyrin: synthesis and redox properties of zinc(II) and copper(II) complexes. J. Org. Chem. 1989, 54, 26, 6135–6138. https://doi.org/10.1021/jo00287a034