1-Phenylpyrrole
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MedKoo CAT#: 591857

CAS#: 635-90-5

Description: 1-Phenylpyrrole is a component of new chiral ligands.


Chemical Structure

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1-Phenylpyrrole
CAS# 635-90-5

Theoretical Analysis

MedKoo Cat#: 591857
Name: 1-Phenylpyrrole
CAS#: 635-90-5
Chemical Formula: C0H9N
Exact Mass: 143.07
Molecular Weight: 143.190
Elemental Analysis: C, 83.88; H, 6.34; N, 9.78

Price and Availability

Size Price Availability Quantity
5g USD 255 2 Weeks
25g USD 550 2 Weeks
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Synonym: 1-Phenylpyrrole; NSC 16581; NSC-16581; NSC16581

IUPAC/Chemical Name: 1-Phenylpyrrole

InChi Key: GEZGAZKEOUKLBR-UHFFFAOYSA-N

InChi Code: InChI=1S/C10H9N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-9H

SMILES Code: N1(C2=CC=CC=C2)C=CC=C1

Appearance: Solid powder

Purity: >95% (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: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.03.00

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 143.19 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Fleisher AJ, Bird RG, Zaleski DP, Pate BH, Pratt DW. High-resolution electronic spectroscopy of the doorway states to intramolecular charge transfer. J Phys Chem B. 2013 Apr 25;117(16):4231-40. doi: 10.1021/jp3041296. Epub 2012 Sep 19. PubMed PMID: 22913563.

2: Faigl F, Mátravölgyi B, Szöllősy Á, Czugler M, Tárkányi G, Vékey K, Kubinyi M. Synthesis of atropisomeric 1-phenylpyrrole-derived amino alcohols: new chiral ligands. Chirality. 2012 Jul;24(7):532-42. doi: 10.1002/chir.22049. Epub 2012 May 10. PubMed PMID: 22573396.

3: Fdez Galván I, Martín ME, Muñoz-Losa A, Sánchez ML, Aguilar MA. Solvent Effects on the Structure and Spectroscopy of the Emitting States of 1-Phenylpyrrole. J Chem Theory Comput. 2011 Jun 14;7(6):1850-7. doi: 10.1021/ct2001182. Epub 2011 Apr 29. PubMed PMID: 26596446.

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5: Sobczak A, Zajac M, Malinka W, Redzicka A. Mechanism of solvolysis of N-[2-(4-o-fluorophenylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3,4-dica rboximide (PDI). Acta Pol Pharm. 2010 May-Jun;67(3):225-32. PubMed PMID: 20524423.

6: Zajac M, Sobczak A, Malinka W, Redzicka A. The stability of N-[2-(4-o-fluorophenylpiperazin-1-yl)ethyl]-2,5-dimethyl-1 -phenylpyrrole-3,4-dicarboximide in aqueous-organic solutions. Acta Pol Pharm. 2010 Jan-Feb;67(1):27-33. PubMed PMID: 20210076.

7: Domingo VM, Brillas E, Torrelles X, Rius J, Juliá L. Electronic effects on beta-substitution in 2,5-dimethyl-1-phenylpyrrole by alkylsulfanyl groups: EPR evidence of the asymmetry in the radical cation of beta-disubstituted derivatives. J Org Chem. 2001 Nov 30;66(24):8236-9. PubMed PMID: 11722232.

8: Mattocks AR, Cabral JR. Carcinogenicity of some pyrrolic pyrrolizidine alkaloid metabolites and analogues. Cancer Lett. 1982 Oct;17(1):61-6. PubMed PMID: 6817913.

9: Viswanathan T, Alworth WL. Effects of 1-arylpyrroles and naphthoflavones upon cytochrome P-450 dependent monooxygenase activities. J Med Chem. 1981 Jul;24(7):822-30. PubMed PMID: 7277387.

10: Artico M, Filacchioni G, Nacci V, Chimenti F. [Synthesis of pyrrolnitrin analogs. II. Preparation and antibacterial properties of 4-p-nitrophenyl-1-phenylpyrrole derivatives]. Farmaco Sci. 1970 Sep;25(9):651-68. Italian. PubMed PMID: 5497429.

11: MORELLI G, STEIN ML. New derivatives of 1-phenylpyrrole of pharmacological interest. J Med Pharm Chem. 1960 Feb;2:79-90. PubMed PMID: 14424037.