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

Hodoodo CAT#: H591857

CAS#: 635-90-5

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

Chemical Structure

1-Phenylpyrrole

CAS# 635-90-5

Instruction

Theoretical Analysis

Hodoodo Cat#: H591857
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
5g	USD 255	2 Weeks
25g	USD 550	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. Hodoodo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

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:

Instruction:

View handling instruction

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.

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.

4: da Silva MA, Santos AF. Energetics and molecular structure of 2,5-dimethyl-1-phenylpyrrole and 2,5-dimethyl-1-(4-nitrophenyl)pyrrole. J Phys Chem B. 2010 Dec 16;114(49):16214-22. doi: 10.1021/jp107018b. Epub 2010 Oct 15. PubMed PMID: 20949955.

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.

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1-Phenylpyrrole featured