MedKoo Cat#: 161202 | Name: UXN33326
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Description:

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

UXN33326, also known as Ni(II) meso-Tetra (2,4,6-trimethylphenyl) Porphine is a synthetic porphyrin product. Ni(II)-centered triphenyl porphyrins are used in oxidative cyclodehydrogenation reactions. 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

UXN33326
UXN33326
CAS#109533-32-6

Theoretical Analysis

MedKoo Cat#: 161202

Name: UXN33326

CAS#: 109533-32-6

Chemical Formula: C56H52N4Ni

Exact Mass: 838.3545

Molecular Weight: 839.75

Elemental Analysis: C, 80.10; H, 6.24; N, 6.67; Ni, 6.99

Price and Availability

Size Price Availability Quantity
100mg USD 530.00 2 Weeks
250mg USD 800.00 2 Weeks
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Related CAS #
No Data
Synonym
UXN33326; UXN 33326; UXN-33326; Ni(II) meso-Tetra (2,4,6-trimethylphenyl) Porphine;
IUPAC/Chemical Name
n/a
InChi Key
UHYCLSAUVZJOGN-XYIYAAJRSA-N
InChi Code
InChI=1S/C56H52N4.Ni/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;/q-2;+2/b53-41+,53-42+,54-43+,54-45+,55-44+,55-46+,56-47+,56-48+;
SMILES Code
CC1=CC(C)=C(/C2=C3N=C(C=C/3)/C(C4=C(C)C=C(C=C4C)C)=C(C=C/5)\N6C5=C(C7=C(C)C=C(C=C7C)C)/C8=N/C(C=C8)=C(C9=C(C)C=C(C=C9C)C)\C%10=CC=C2N%10[Ni]6)C(C)=C1
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 839.75 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.) Hampel, et al. Oxidative Cyclodehydrogenation Reactions with Tetraarylporphyrins. European Journal of Organic Chemistry, 2020, vol. 2020, # 43, p. 6758 – 6762. https://doi.org/10.1002/ejoc.202001174 2.) Ito, et al. Synthesis of highly twisted and fully π-conjugated porphyrinic oligomers. Journal of the American Chemical Society, 2015, vol. 137, # 1, p. 142 – 145. https://doi.org/10.1021/ja511905f 3.) Zhang, et al. Ultrafast stimulated emission and structural dynamics in nickel porphyrins. Journal of Physical Chemistry A, 2007, vol. 111, # 46, p. 11736 – 11742. https://doi.org/10.1021/jp0751763