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2-Methyl-6-trifluoromethyl-1H-indole is a chemical compound with the molecular formula C10H8F3N. It is a derivative of indole, an important building block in the synthesis of various pharmaceutical and agrochemical products. 2-Methyl-6-trifluoroMethyl-1H-indole is characterized by a methyl group at the 2-position and a trifluoromethyl group at the 6-position, which imparts unique properties to it, including enhanced reactivity and stability in chemical reactions. It is a versatile compound with potential applications in the field of chemistry and pharmaceutical science.

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  • 57330-48-0 Structure
  • Basic information

    1. Product Name: 2-Methyl-6-trifluoroMethyl-1H-indole
    2. Synonyms: 2-Methyl-6-trifluoroMethyl-1H-indole;2-Methyl-6-trifluoroMethyl indole;2-Methyl-6-(trifluoromethyl)
    3. CAS NO:57330-48-0
    4. Molecular Formula: C10H8F3N
    5. Molecular Weight: 199.1724296
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 57330-48-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: Sealed in dry,Room Temperature
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-Methyl-6-trifluoroMethyl-1H-indole(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-Methyl-6-trifluoroMethyl-1H-indole(57330-48-0)
    11. EPA Substance Registry System: 2-Methyl-6-trifluoroMethyl-1H-indole(57330-48-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 57330-48-0(Hazardous Substances Data)

57330-48-0 Usage

Uses

Used in Pharmaceutical Industry:
2-Methyl-6-trifluoromethyl-1H-indole is used as a reagent in the production of pharmaceuticals for its ability to contribute to the synthesis of various medicinal compounds. Its unique structural features make it a valuable component in the development of new drugs.
Used in Organic Synthesis:
In the field of organic synthesis, 2-Methyl-6-trifluoromethyl-1H-indole is used as a building block, facilitating the creation of complex organic molecules. Its trifluoromethyl group enhances the reactivity of the molecule, making it a preferred choice for specific synthetic pathways.
Used in Medicinal Chemistry and Drug Discovery Research:
2-Methyl-6-trifluoromethyl-1H-indole is utilized in medicinal chemistry and drug discovery research due to its potential biological activities. 2-Methyl-6-trifluoroMethyl-1H-indole's unique properties make it a candidate for exploring new therapeutic agents and understanding its interactions with biological targets.

Check Digit Verification of cas no

The CAS Registry Mumber 57330-48-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,7,3,3 and 0 respectively; the second part has 2 digits, 4 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 57330-48:
(7*5)+(6*7)+(5*3)+(4*3)+(3*0)+(2*4)+(1*8)=120
120 % 10 = 0
So 57330-48-0 is a valid CAS Registry Number.

57330-48-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-methyl-6-(trifluoromethyl)-1H-indole

1.2 Other means of identification

Product number -
Other names 2-Methyl-6-trifluoromethyl indole

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:57330-48-0 SDS

57330-48-0Downstream Products

57330-48-0Relevant articles and documents

Method for preparing indole and derivatives thereof

-

, (2017/08/24)

The invention discloses a method for preparing indole and derivatives of indole. The method for preparing indole and the derivatives of indole is characterized by comprising the following two steps that (1) a catalyst, a ligand and alkali are added in a reaction tube, under the protection of nitrogen, beta-hydroxy ketone or ester is reacted with a mixed solution of o-nitro aryl halides for 3 to 8h in an oil bath pan at the temperature of 90 to 120 DEG C, and then cooled to room temperature after reaction, and extracted, washed, dried and subjected to chromatography to obtain a product of o-nitro alpha-aryl ketone or ester; (2) o-nitro alpha-aryl ketone or ester obtained in the step (1), a reducing agent system and a solvent are added to the reaction tube, and reacted for 3 to 8h at the temperature of 60 to 100 DEG C, and then extracted, washed, dried and subjected to chromatography after being reacted to obtain a target product of indole and the derivatives of indole. Reaction raw materials, the catalyst, the ligand, the alkali and the solvent used in the invention are all industrial commodities, and simple and readily available, wide in sources, cheap in price, and further very stable in performances, and with no need for special storage conditions; in addition, the method for preparing indole and the derivatives of indole disclosed by the invention has the characteristics of low cost, high yield, simple process, less pollution and the like.

Divergent synthesis of indoles, oxindoles, isocoumarins and isoquinolinones by general Pd-catalyzed retro-aldol/α-arylation

Zhang, Song-Lin,Yu, Ze-Long

, p. 10511 - 10515 (2016/11/18)

Divergent synthesis of indoles, oxindoles, isocoumarins and isoquinolinones is described in this report by using a general Pd-catalyzed tandem reaction of β-hydroxy carbonyl compounds with aryl halides bearing an ortho-nitro, -ester or -cyano substituent. A key retro-aldol/α-arylation reaction is involved that merges classic Pd cross-coupling chemistry with novel Pd-promoted retro-aldol C-C activation to produce α-arylated ketones or esters. Subsequent intramolecular condensation of the carbonyl with the ortho-synthon gives target heterocycles. The use of common, commercially available and cheap substrates and catalyst system adds additional synthetic advantages to the conceptual significance.

Dirhodium(II)-catalyzed intramolecular C-H amination of aryl azides

Shen, Meihua,Leslie, Brooke E.,Driver, Tom G.

supporting information; experimental part, p. 5056 - 5059 (2009/03/11)

(Chemical Equation Presented) Azides to indoles: Dirhodium(II)-catalyzed decomposition of aryl azides was developed as a mild, functional group tolerant method for the synthesis of indoles (see scheme).

NOVEL HETEROARYL DERIVATIVE

-

, (2008/06/13)

A compound of the following formula (1), or its prodrug or pharmaceutically acceptable salt thereof, being useful as a diabetic medicine or preventive, or blood sugar regulator, or therapeutic agent for hyperlipemia, etc. wherein the ring Z is an optionally substituted heteroaryl, W4 is a single bond, lower alkylene, etc., Ar2 is an optionally substituted aryl, etc., W3 is a single bond, lower alkylene, etc., Ar1 is an optionally substituted arylene, etc., each of W1 and W2 is an optionally substituted lower alkylene, etc., and R1 is carboxyl, an alkoxycarbonyl.

Process for producing indole compound

-

Page/Page column 7-8, (2008/06/13)

There is provided a novel process for producing an indole derivative which comprises cyclizing 2-nitrobenzylcarbony compound in the presence of a catalyst comprising a Group VIII metal of the Periodic Table, characterized by conducting the cyclization in a gas atmosphere containing carbon monoxide. The process enables an indole compound to be selectively produced in a high yield from 2-nitrobenzylcarbonyl compound, and hardly yields an indoline compound as a reduction by-product that has been a problem in the catalytic hydrogenation method employing a noble metal catalyst. The indole derivative produced by the present process is useful for various fine chemical intermediates including compounds and physiologically active substances such as pharmaceuticals and agrochemicals.

NOVEL HETEROARYL DERIVATIVE

-

Page/Page column 67, (2008/06/13)

A compound of the following formula (1), or its prodrug or pharmaceutically acceptable salt thereof, being useful as a diabetic medicine or preventive, or blood sugar regulator, or therapeutic agent for hyperlipemia, etc. (1) wherein: the ring Z is an optionally substituted heteroaryl, W4 is a single bond, lower alkylene, etc., Ar2 is an optionally substituted aryl, etc., W3 is a single bond, lower alkylene, etc., Ar1 is an optionally substituted arylene, etc., each of W1 and W2 is an optionally substituted lower alkylene, etc., and R1 is carboxyl, an alkoxycarbonyl, etc.

In pursuit of non narcotic analgetic and antiinflammatory agents. 1 carboxyalkyl 3 acylindoles

Allais,Meier,Mathieu,et al.

, p. 187 - 199 (2007/10/08)

The synthesis and study of different carboxyalcoyl 1 acyl 3 indoles has led to molecules endowed with analgesic properties associated with an anti inflammatory action of variable importance. In particular carboxymethyl 1 p chlorobenzoyl 3 methoxy 6 indole (RU 3959) has a strong analgesic activity and a remarkable tolerance which have been confirmed in clinical trials.

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