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676642-31-2

1,3-Dioxane-4,6-dione, 5-[1H-indol-3-yl(4-nitrophenyl)methyl]-2,2-dimethyl-, is a derivative synthesized via Friedel-Crafts alkylation or Yonemitsu condensation, involving the reaction of indoles, aldehydes (such as 4-nitrobenzaldehyde), and Meldrum’s acid (or its analogs like 2,2-dimethyl-1,3-dioxane-4,6-dione). 1,3-Dioxane-4,6-dione, 5-[1H-indol-3-yl(4-nitrophenyl)methyl]-2,2-dimethyl- features a 1,3-dioxane-4,6-dione core substituted with a 2,2-dimethyl group and a 1H-indol-3-yl(4-nitrophenyl)methyl moiety at the 5-position. This scaffold is accessible through catalyst-free green methods, such as ultrasonic irradiation in glycerol-water solvent systems, or via conventional Friedel-Crafts strategies, highlighting its utility in indole-based heterocyclic chemistry. **Other names**: - 5-(1H-Indol-3-yl(4-nitrophenyl)methyl-2,2-dimethyl-1,3-dioxane-4,6-dione - A Yonemitsu-type adduct derived from Meldrum’s acid analog.

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  • 676642-31-2 Structure

  • Basic information

    1. Product Name: 1,3-Dioxane-4,6-dione, 5-[1H-indol-3-yl(4-nitrophenyl)methyl]-2,2-dimethyl-
    2. Synonyms:
    3. CAS NO:676642-31-2
    4. Molecular Formula: C21H18N2O6
    5. Molecular Weight: 394.384
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 676642-31-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1,3-Dioxane-4,6-dione, 5-[1H-indol-3-yl(4-nitrophenyl)methyl]-2,2-dimethyl-(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1,3-Dioxane-4,6-dione, 5-[1H-indol-3-yl(4-nitrophenyl)methyl]-2,2-dimethyl-(676642-31-2)
    11. EPA Substance Registry System: 1,3-Dioxane-4,6-dione, 5-[1H-indol-3-yl(4-nitrophenyl)methyl]-2,2-dimethyl-(676642-31-2)

  • 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: 676642-31-2(Hazardous Substances Data)

676642-31-2 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 676642-31-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 6,7,6,6,4 and 2 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 676642-31:
(8*6)+(7*7)+(6*6)+(5*6)+(4*4)+(3*2)+(2*3)+(1*1)=192
192 % 10 = 2
So 676642-31-2 is a valid CAS Registry Number.

676642-31-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,2-dimethyl-5-[(4-nitrophenyl)(1H-indol-3-yl)methyl]-1,3-dioxane-4,6-dione

1.2 Other means of identification

Product number -
Other names -

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

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More Details:676642-31-2 SDS

676642-31-2Downstream Products

676642-31-2Relevant articles and documents

Practical Method for the Preparation of 2,2-Dimethyl-5-{aryl[(hetero)aryl]methyl}-1,3-dioxane-4,6-diones: Synthesis and Mechanistic Study

Najda, Ewelina,Zakaszewska, Anna,Janikowska, Karolina,Makowiec, S?awomir

, p. 3589 - 3596 (2016)

An efficient practical synthetic procedure has been developed for the synthesis of 2,2-dimethyl-5-{aryl[(hetero)aryl]methyl}-1,3-dioxane-4,6-diones through Friedel-Crafts alkylation. The scope and limitation of the reaction of 2,2-dimethyl-5-arylidene-1,3

A combination of green solvent and ultrasonic irradiation promotes the catalyst-free reaction of aldehydes, indoles and Meldrum’s acid

Lü, Cheng-Wei,Wang, Jia-Jing,Liu, Yan-Hang,Shan, Wen-Juan,Sun, Qi,Shi, Lei

, p. 943 - 949 (2017)

Abstract: A facile and practical approach for the preparation of 3-indole derivatives was performed by the Yonemitsu condensation of indoles with Meldrum’s acid and aldehydes in a mixture of solvent from glycerol and water under ultrasonic irradiation at

L-Proline catalyzed multicomponent one-pot synthesis of gem-diheteroarylmethane derivatives using facile grinding operation under solvent-free conditions at room temperature

Brahmachari, Goutam,Das, Suvankar

, p. 7380 - 7388 (2014/02/14)

An efficient and straightforward l-proline catalyzed one-pot synthesis of a series of biologically relevant gem-(β-dicarbonyl)arylmethanes has been developed via a three-component reaction between indoles, aldehydes and C-H activated acids by grinding the

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