MedKoo Cat#: 161196 | Name: DWM39497
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Description:

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

DWM39497, also known as Mn(III) meso-Tetra(2,4,6-trimethylphenyl)porphine chloride is a catalyst for the epoxidation of alkenes. DWM39497 is used to synthesize 18F-difluoromethylares. 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

DWM39497
DWM39497
CAS#85939-49-7

Theoretical Analysis

MedKoo Cat#: 161196

Name: DWM39497

CAS#: 85939-49-7

Chemical Formula: C56H52ClMnN4

Exact Mass: 870.3261

Molecular Weight: 871.45

Elemental Analysis: C, 77.18; H, 6.01; Cl, 4.07; Mn, 6.30; N, 6.43

Price and Availability

Size Price Availability Quantity
100mg USD 520.00 2 Weeks
250mg USD 760.00 2 Weeks
500mg USD 1,130.00 2 Weeks
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Related CAS #
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Synonym
DWM39497; DWM-39497; DWM 39497; Mn(III) meso-Tetra(2,4,6-trimethylphenyl)porphine chloride;
IUPAC/Chemical Name
n/a
InChi Key
DJRQGDJTRUAUPG-WSJWEZPUSA-M
InChi Code
InChI=1S/C56H52N4.ClH.Mn/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
CC1=C(C(C)=CC(C)=C1)/C2=C3C=C/C4=C(C5=C(C)C=C(C=C5C)C)/C6=N/C(C=C6)=C(C7=C(C)C=C(C=C7C)C)\C8=CC=C(N8[Mn](Cl)N\34)/C(C9=C(C)C=C(C=C9C)C)=C%10N=C2C=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 871.45 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.) Sap, et al. Synthesis of 18F-difluoromethylarenes using aryl boronic acids, ethyl bromofluoroacetate and [18F]fluoride. Chem. Sci., 2019, 10, 3237-3241. 10.1039/C8SC05096A 2.) Sorokin, et al. Intramolecular kinetic isotope effects in alkane hydroxylations catalyzed by manganese and iron porphyrin complexes. J. Am. Chem. Soc. 1993, 115, 16, 7293–7299. https://doi.org/10.1021/ja00069a031 3.) Nakagaki, et al. Relevance of the reaction of a manganese(III) chelate with hydroxide ion to photosynthesis: Reaction of hydroxide ion with 5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphinatomanganese(III) in ligating and non ligating solvents. Proc. Natl. Acad. Sci. USA Vol. 85, pp. 5424-5428, August 1988. 4.) van der Made, et al. Effect of Ph on the Epoxidation of Alkenes by the Cytochrome-P-450 Model Manganese(Iii) Porphyrin Hypochlorite. Recueil des Travaux Chimiques des Pays-Bas. Volume 108, Issue 5, 1989,Pages 185-188. https://doi.org/10.1002/recl.19891080505