MedKoo Cat#: 161086 | Name: SYN66095
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Description:

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

SYN66095, also known as 5-Monobromo-10,15,20-triphenylporphine, is a synthetic porphyrin derivative which is a useful starting material for constructing functionalized porphyrins by transition metal mediated cross coupling. 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

SYN66095
SYN66095
CAS#67066-09-5

Theoretical Analysis

MedKoo Cat#: 161086

Name: SYN66095

CAS#: 67066-09-5

Chemical Formula: C38H25BrN4

Exact Mass: 616.1263

Molecular Weight: 617.55

Elemental Analysis: C, 73.91; H, 4.08; Br, 12.94; N, 9.07

Price and Availability

Size Price Availability Quantity
100mg USD 550.00 2 Weeks
250mg USD 870.00 2 Weeks
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Related CAS #
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Synonym
SYN66095; SYN 66095; SYN-66095; 5-Monobromo-10,15,20-triphenylporphine; 5-bromo-10,15,20-triphenylporphyrin;
IUPAC/Chemical Name
5-bromo-10,15,20-triphenylporphyrin
InChi Key
SSDAPHKBPYAYKP-YVFGNCJRSA-N
InChi Code
InChI=1S/C38H25BrN4/c39-38-33-22-20-31(42-33)36(25-12-6-2-7-13-25)29-18-16-27(40-29)35(24-10-4-1-5-11-24)28-17-19-30(41-28)37(26-14-8-3-9-15-26)32-21-23-34(38)43-32/h1-23,40,43H/b35-27-,35-28-,36-29-,36-31-,37-30-,37-32-,38-33+,38-34+
SMILES Code
Br/C1=C2N=C(C=C/2)/C(C3=CC=CC=C3)=C(N/4)/C=CC4=C(C5=CC=CC=C5)\C6=N/C(C=C6)=C(C7=CC=CC=C7)\C8=CC=C1N8
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 617.55 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: Schissler, et al. A Synthetic Strategy for Cofacial Porphyrin-Based Homo- and Heterobimetallic Complexes. Chemistry, A European Journal. Volume 27, Issue 9, February 10, 2021, Pages 3047-3054. https://doi.org/10.1002/chem.202002394 3: Stefan, et al. Cubane Cross-Coupling and Cubane–Porphyrin Arrays. Chemistry, A European Journal. Volume 24, Issue 5, January 24, 2018, Pages 1026-1030. https://doi.org/10.1002/chem.201704344 5: Sugita, et al. Palladium-catalyzed Kumada Coupling Reaction of Bromoporphyrins with Silylmethyl Grignard Reagents: Preparation of Silylmethyl-substituted Porphyrins as a Multipurpose Synthon for Fabrication of Porphyrin Systems. J. Org. Chem. 2012, 77, 23, 10488–10497. https://doi.org/10.1021/jo302122f