MedKoo Cat#: 161240 | Name: 3,4-Diethylpyrrole
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Description:

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

3,4-Diethylpyrrole is a porphyrin building block which is also applicable in the synthesis of pharmaceuticals and fine organic chemicals.

Chemical Structure

3,4-Diethylpyrrole
3,4-Diethylpyrrole
CAS#16200-52-5

Theoretical Analysis

MedKoo Cat#: 161240

Name: 3,4-Diethylpyrrole

CAS#: 16200-52-5

Chemical Formula: C8H13N

Exact Mass: 123.1048

Molecular Weight: 123.20

Elemental Analysis: C, 77.99; H, 10.64; N, 11.37

Price and Availability

Size Price Availability Quantity
1g USD 765.00 2 Weeks
5g USD 1,970.00 2 Weeks
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Synonym
3,4-Diethylpyrrole; 3,4 Diethylpyrrole; 3,4-diethyl-1H-pyrrole;
IUPAC/Chemical Name
3,4-diethyl-1H-pyrrole
InChi Key
XMYRJQYUMXCUNX-UHFFFAOYSA-N
InChi Code
InChI=1S/C8H13N/c1-3-7-5-9-6-8(7)4-2/h5-6,9H,3-4H2,1-2H3
SMILES Code
CCC1=CNC=C1CC
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 123.20 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
Cheng, Y.; Yuan, X.; Ma, J.; Yu, S., Direct Aromatic C-H Trifluoromethylation via an Electron-Donor-Acceptor Complex. Chem. – Eur. J. 2015, 21 (23), 8355-8359. Dohi, T.; Ito, M.; Yamaoka, N.; Morimoto, K.; Fujioka, H.; Kita, Y., Hypervalent iodine(III): selective and efficient single-electron-transfer (SET) oxidizing agent. Tetrahedron 2009, 65 (52), 10797-10815. Dohi, T.; Morimoto, K.; Maruyama, A.; Kita, Y., Direct Synthesis of Bipyrroles Using Phenyliodine Bis(trifluoroacetate) with Bromotrimethylsilane. Org. Lett. 2006, 8 (10), 2007-2010. Ito, S.; Murashima, T.; Ono, N.; Uno, H., A new synthesis of benzoporphyrins using 4,7-dihydro-4,7-ethano-2H-isoindole as a synthon of isoindole. Chem. Commun. (Cambridge) 1998, (16), 1661-1662. Jaquinod, L.; Siri, O.; Khoury, R. G., Linear fused oligoporphyrins: potential molecular wires with enhanced electronic communication between bridged metal ions. Chem. Commun. (Cambridge) 1998, (12), 1261-1262. Kral, V.; Furuta, H.; Shreder, K.; Lynch, V.; Sessler, J. L., Protonated Sapphyrins. Highly Effective Phosphate Receptors. J. Am. Chem. Soc. 1996, 118 (7), 1595-607. Krayer, M.; Ptaszek, M.; Kim, H.-J.; Meneely, K. R.; Fan, D.; Secor, K.; Lindsey, J. S., Expanded Scope of Synthetic Bacteriochlorins via Improved Acid Catalysis Conditions and Diverse Dihydrodipyrrin-Acetals. J. Org. Chem. 2010, 75 (4), 1016-1039. Krivokapic, A.; Cowley, A. R.; Anderson, H. L., Contracted and Expanded meso-Alkynyl Porphyrinoids: from Triphyrin to Hexaphyrin. J. Org. Chem. 2003, 68 (3), 1089-1096. Lash, T. D., Porphyrins with exocyclic rings. Part 9. Synthesis of porphyrins by the “3 + 1” approach. J. Porphyrins Phthalocyanines 1997, 1 (1), 29-44. Lash, T. D.; Colby, D. A.; Szczepura, L. F., New Riches in Carbaporphyrin Chemistry: Silver and Gold Organometallic Complexes of Benzocarbaporphyrins. Inorg. Chem. 2004, 43 (17), 5258-5267.