3-Acetylindole | CAS#703-80-0 | indole derivative

3-Acetylindole
featured

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

MedKoo CAT#: 558470

CAS#: 703-80-0

Description: 3-Acetylindole is a derivative of an indole. The substitution of indole in position 3 with aldehydes and with alkyl groups cause only minor changes in the molecular geometry, however, substantially larger alterations are found in the charge distribution and in the vibrational force constants.

Chemical Structure

3-Acetylindole

CAS# 703-80-0

Instruction

Theoretical Analysis

MedKoo Cat#: 558470
Name: 3-Acetylindole
CAS#: 703-80-0
Chemical Formula: C10H9NO
Exact Mass: 159.07
Molecular Weight: 159.190
Elemental Analysis: C, 75.45; H, 5.70; N, 8.80; O, 10.05

Price and Availability

Size	Price	Availability
5g	USD 240	2 Weeks
25g	USD 470	2 Weeks
100g	USD 1050	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. MedKoo 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: 3-Acetylindole; 3-Acetylindole; 3-Acetylindole; Acetyl-3-indole; 3-Acetyl-1H-indole;

IUPAC/Chemical Name: Ethanone, 1-(1H-indol-3-yl)- (9CI)

InChi Key: VUIMBZIZZFSQEE-UHFFFAOYSA-N

InChi Code: InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3

SMILES Code: CC(C1=CNC2=C1C=CC=C2)=O

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:

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 159.19 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:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.

Mass

Concentration

Volume

M. Wt* g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

Dilution Calculator

Calculate the dilution required to prepare a stock solution.

Concentration 1

Volume 1

Concentration 2

Volume 2

1: Billes F, Podea PV, Mohammed-Ziegler I, Toşa M, Mikosch H, Irimie DF. Formyl- and acetylindols: vibrational spectroscopy of an expectably pharmacologically active compound family. Spectrochim Acta A Mol Biomol Spectrosc. 2009 Dec;74(5):1031-45. doi: 10.1016/j.saa.2009.08.044. Epub 2009 Aug 28. PubMed PMID: 19875329.

2: Ran JQ, Huang N, Xu H, Yang LM, Lv M, Zheng YT. Anti HIV-1 agents 5: synthesis and anti-HIV-1 activity of some N-arylsulfonyl-3-acetylindoles in vitro. Bioorg Med Chem Lett. 2010 Jun 15;20(12):3534-6. doi: 10.1016/j.bmcl.2010.04.132. Epub 2010 May 18. PubMed PMID: 20488700.

3: Abdel-Gawad H, Mohamed HA, Dawood KM, Badria FA. Synthesis and antiviral activity of new indole-based heterocycles. Chem Pharm Bull (Tokyo). 2010 Nov;58(11):1529-31. PubMed PMID: 21048349.

4: Shukla VK, Al-Abdullah ES, El-Emam AA, Sachan AK, Pathak SK, Kumar A, Prasad O, Bishnoi A, Sinha L. Spectroscopic (FT-IR, FT-Raman, and UV-visible) and quantum chemical studies on molecular geometry, Frontier molecular orbitals, NBO, NLO and thermodynamic properties of 1-acetylindole. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Dec 10;133:626-38. doi: 10.1016/j.saa.2014.06.043. Epub 2014 Jun 14. PubMed PMID: 24996206.

5: Hachuła B, Pyzik A, Nowak M, Kusz J. Low-temperature study of 3-acetylindole at 110 K. Acta Crystallogr C. 2008 Jul;64(Pt 7):o398-401. doi: 10.1107/S0108270108017733. Epub 2008 Jun 21. PubMed PMID: 18599988.

6: Ban X, Pan Y, Lin Y, Wang S, Du Y, Zhao K. Synthesis of carbazolones and 3-acetylindoles via oxidative C-N bond formation through PIFA-mediated annulation of 2-aryl enaminones. Org Biomol Chem. 2012 May 14;10(18):3606-9. doi: 10.1039/c2ob25348h. Epub 2012 Apr 3. PubMed PMID: 22495470.

Your view history

3-Acetylindole featured