MedKoo Cat#: 161114 | Name: KWM39215
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Description:

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

KWM39215, also known as Fe(III) meso-Tetra (2,4,6 trimethylphenyl) Porphine Chloride is a synthetic porphyrin which is a catalyst for epoxidation reactions. KWM39215 is a tool for stereoselective cyclopropanation of alkenes. 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

KWM39215
KWM39215
CAS#77439-21-5

Theoretical Analysis

MedKoo Cat#: 161114

Name: KWM39215

CAS#: 77439-21-5

Chemical Formula: C56H52ClFeN4

Exact Mass: 871.3230

Molecular Weight: 872.36

Elemental Analysis: C, 77.10; H, 6.01; Cl, 4.06; Fe, 6.40; N, 6.42

Price and Availability

Size Price Availability Quantity
100mg USD 680.00 2 Weeks
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Related CAS #
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Synonym
KWM39215; KWM-39215; KWM 39215; Fe(III) meso-Tetra (2,4,6 trimethylphenyl) Porphine Chloride; Fe (III) meso-Tetra (2,4,6 trimethylphenyl) Porphine Chloride;
IUPAC/Chemical Name
n/a
InChi Key
KSUBTQBATWIZJZ-WSJWEZPUSA-M
InChi Code
InChI=1S/C56H52N4.ClH.Fe/c1-29-21-33(5)49(34(6)22-29)53-41-13-15-43(57-41)54(50-35(7)23-30(2)24-36(50)8)45-17-19-47(59-45)56(52-39(11)27-32(4)28-40(52)12)48-20-18-46(60-48)55(44-16-14-42(53)58-44)51-37(9)25-31(3)26-38(51)10;;/h13-28H,1-12H3;1H;/q-2;;+3/p-1/b53-41+,53-42+,54-43+,54-45+,55-44+,55-46+,56-47+,56-48+;;
SMILES Code
Cl[Fe](N1/C(C=C/C1=C(C2=C(C)C=C(C)C=C2C)/C3=N/C(C=C3)=C4/C5=C(C)C=C(C)C=C5C)=C6/C7=C(C)C=C(C)C=C7C)N8C4=CC=C8/C(C9=C(C)C=C(C)C=C9C)=C%10N=C6C=C\%10
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 872.36 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.) Groves, et al. High-valent iron-porphyrin complexes related to peroxidase and cytochrome P-450. J. Am. Chem. Soc. 1981, 103, 10, 2884–2886. https://doi.org/10.1021/ja00400a075 2.) Groves, et al. Epoxidation reactions catalyzed by iron porphyrins. Oxygen transfer from iodosylbenzene. J. Am. Chem. Soc. 1983, 105, 18, 5786–5791. https://doi.org/10.1021/ja00356a015 3.) Wolf, et al. Shape and stereoselective cyclopropanation of alkenes catalyzed by iron porphyrins. J. Am. Chem. Soc. 1995, 117, 36, 9194–9199. https://doi.org/10.1021/ja00141a011 4.) Melo, et al. Biomimetic oxidation of praziquantel catalysed by metalloporphyrins. Journal of Molecular Catalysis A: Chemical.Volume 226, Issue 1, 1 February 2005, Pages 23-31. https://doi.org/10.1016/j.molcata.2004.09.015 5.) Chen, et al. Ligand control in the photochemical generation of high-valent porphyrin-iron–oxo derivatives. Chem. Commun., 2015,51, 9949-9952. https://doi.org/10.1039/C5CC02852C 6.) Nishikawa, et al. Spectroscopic Evidence for Acid-Catalyzed Disproportionation Reaction of Oxoiron(IV) Porphyrin to Oxoiron(IV) Porphyrin π-Cation Radical and Iron(III) Porphyrin. J. Am. Chem. Soc. 2020, 142, 11, 4980–4984. https://doi.org/10.1021/jacs.9b13503