1-Acetylferrocene
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MedKoo CAT#: 558466

CAS#: 1271-55-2

Description: 1-Acetylferrocene is an organoiron compound with the formula Fe. It consists of ferrocene substituted by an acetyl group on one of the cyclopentadienyl rings. It is an orange, air-stable solid that is soluble in organic solvents.

Chemical Structure

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1-Acetylferrocene
CAS# 1271-55-2
Instruction

Theoretical Analysis

MedKoo Cat#: 558466
Name: 1-Acetylferrocene
CAS#: 1271-55-2
Chemical Formula: C12H12FeO
Exact Mass: 228.02
Molecular Weight: 228.070
Elemental Analysis: C, 63.20; H, 5.30; Fe, 24.49; O, 7.01

Price and Availability

Size Price Availability Quantity
5g USD 220 2 Weeks
25g USD 475 2 Weeks
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Synonym: 1-Acetylferrocene; 1 Acetylferrocene; 1Acetylferrocene; Acetoferrocene; Acetylferrocene;

IUPAC/Chemical Name: iron(II) 1-acetylcyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide

InChi Key: SPKJCVZOZISLEI-UHFFFAOYSA-N

InChi Code: InChI=1S/C7H7O.C5H5.Fe/c1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h2-5H,1H3;1-5H;/q2*-1;+2

SMILES Code: O=C(C)[C-]1C=CC=C1.C2=C[CH-]C=C2.[Fe+2]

Appearance: Solid powder

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: 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 228.07 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: Yadav S, Singh RV. Ferrocenyl-substituted Schiff base complexes of boron: synthesis, structural, physico-chemical and biochemical aspects. Spectrochim Acta A Mol Biomol Spectrosc. 2011 Jan;78(1):298-306. doi: 10.1016/j.saa.2010.10.010. Epub 2010 Dec 16. PubMed PMID: 21167770.

2: Zhang J, Liu WY, Zhang X. [Study of the characterization of beta-cyclodextrin-acetylferrocene-thiosemicarbazone inclusion complex and micro-environmental effects]. Guang Pu Xue Yu Guang Pu Fen Xi. 2005 Oct;25(10):1568-72. Chinese. PubMed PMID: 16395884.

3: Alvarado YJ, Peña-Suárez JL, Cubillán N, Labarca PH, Caldera-Luzardo JA, López-Linares F. Influence of the dielectric medium on the carbonyl infrared absorption peak of acetylferrocene. Molecules. 2005 Feb 28;10(2):457-74. PubMed PMID: 18007317.

4: Leung HW, Hallesy DW, Shott LD, Murray FJ, Paustenbach DJ. Toxicological evaluation of substituted dicyclopentadienyliron (ferrocene) compounds. Toxicol Lett. 1987 Sep;38(1-2):103-8. PubMed PMID: 3629622.

5: Bertau M, Jörg G. Saccharides as efficacious solubilisers for highly lipophilic compounds in aqueous media. Bioorg Med Chem. 2004 Jun 1;12(11):2973-83. PubMed PMID: 15142556.

6: Vashisht Gopal YN, Jayaraju D, Kondapi AK. Topoisomerase II poisoning and antineoplastic action by DNA-nonbinding diacetyl and dicarboxaldoxime derivatives of ferrocene. Arch Biochem Biophys. 2000 Apr 1;376(1):229-35. PubMed PMID: 10729210.