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3-(1H-INDOL-5-YL)-ACRYLIC ACID is a chemical compound characterized by its molecular formula C11H9NO2. It is an indole derivative, a heterocyclic aromatic organic compound, featuring a carboxylic acid group and an indole ring structure connected to an acrylic acid functional group. This unique chemical structure and properties make it a compound of interest in organic synthesis and pharmaceuticals, as well as in the study of indole derivatives and their biological activities.

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  • 179626-79-0 Structure
  • Basic information

    1. Product Name: 3-(1H-INDOL-5-YL)-ACRYLIC ACID
    2. Synonyms: RARECHEM AL BK 0874;AKOS BAR-2481;3-(1H-INDOL-5-YL)-ACRYLIC ACID;(E)-3-(1H-Indol-5-yl)-2-propenoic acid
    3. CAS NO:179626-79-0
    4. Molecular Formula: C11H9NO2
    5. Molecular Weight: 187.19
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 179626-79-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.361
    6. Refractive Index: N/A
    7. Storage Temp.: 2-8°C
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-(1H-INDOL-5-YL)-ACRYLIC ACID(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-(1H-INDOL-5-YL)-ACRYLIC ACID(179626-79-0)
    11. EPA Substance Registry System: 3-(1H-INDOL-5-YL)-ACRYLIC ACID(179626-79-0)
  • 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: 179626-79-0(Hazardous Substances Data)

179626-79-0 Usage

Uses

Used in Organic Synthesis:
3-(1H-INDOL-5-YL)-ACRYLIC ACID is used as a building block for the synthesis of various organic compounds due to its reactive functional groups and versatile chemical structure.
Used in Pharmaceutical Industry:
3-(1H-INDOL-5-YL)-ACRYLIC ACID is used as an intermediate in the development of pharmaceuticals for its potential biological activities and the ability to be incorporated into drug molecules.
Used in Research and Development:
3-(1H-INDOL-5-YL)-ACRYLIC ACID is used as a subject of study in research for understanding the properties and potential applications of indole derivatives in various fields, including medicinal chemistry and materials science.

Check Digit Verification of cas no

The CAS Registry Mumber 179626-79-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,9,6,2 and 6 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 179626-79:
(8*1)+(7*7)+(6*9)+(5*6)+(4*2)+(3*6)+(2*7)+(1*9)=190
190 % 10 = 0
So 179626-79-0 is a valid CAS Registry Number.

179626-79-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(1H-indol-5-yl)prop-2-enoic acid

1.2 Other means of identification

Product number -
Other names 3-(1H-INDOL-5-YL)-ACRYLIC ACID

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:179626-79-0 SDS

179626-79-0Downstream Products

179626-79-0Relevant articles and documents

Heck Diversification of Indole-Based Substrates under Aqueous Conditions: From Indoles to Unprotected Halo-tryptophans and Halo-tryptophans in Natural Product Derivatives

Pubill-Ulldemolins, Cristina,Sharma, Sunil V.,Cartmell, Christopher,Zhao, Jinlian,Cárdenas, Paco,Goss, Rebecca J. M.

supporting information, p. 10866 - 10875 (2019/08/02)

The blending of synthetic chemistry with biosynthetic processes provides a powerful approach to synthesis. Biosynthetic halogenation and synthetic cross-coupling have great potential to be used together, for small molecule generation, access to natural product analogues and as a tool for chemical biology. However, to enable enhanced generality of this approach, further synthetic tools are needed. Though considerable research has been invested in the diversification of phenylalanine and tyrosine, functionalisation of tryptophans thorough cross-coupling has been largely neglected. Tryptophan is a key residue in many biologically active natural products and peptides; in proteins it is key to fluorescence and dominates protein folding. To this end, we have explored the Heck cross-coupling of halo-indoles and halo-tryptophans in water, showing broad reaction scope. We have demonstrated the ability to use this methodology in the functionalisation of a brominated antibiotic (bromo-pacidamycin), as well as a marine sponge metabolite, barettin.

Tandem heck/decarboxylation/heck strategy: Protecting-group-free synthesis of symmetric and unsymmetric hydroxylated stilbenoids

Shard, Amit,Sharma, Naina,Bharti, Richa,Dadhwal, Sumit,Kumar, Rajesh,Sinha, Arun K.

supporting information, p. 12250 - 12253 (2013/02/22)

Ride the (micro)wave: The title strategy has been developed for the synthesis of various symmetric or unsymmetric hydroxylated stilbenoids utilizing 4-halophenols and acrylic acid as coupling partners (see scheme; DMA=N,N-dimethylacetamide, MW=microwave). Protecting groups are not necessary and a single palladium catalyst is used. Copyright

Cinnamic, Phenylpropiolic and Phenylpropanoic Acid Derivatives Useful as Anti-Tumor Agents

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Page/Page column 9, (2008/12/07)

Cinnamic and phenylpropiolic acid derivatives of formula (I) having antitumour and chemo sensitizing activity are described. Also described are pharmaceutical compositions containing the above-mentioned compounds, for the treatment of tumours.

CINNAMIC, PHENYLPROPIOLIC AND PHENYLPROPANOIC ACID DERIVATIVES USEFUL AS ANTI-TUMOUR AGENTS

-

, (2008/06/13)

Cinnamic and phenylpropiolic acid derivatives of Formula (I) having antitumour and chemosensitizing activity are described. Also described are pharmaceutical compositions containing the above-mentioned compounds, for the treatment of tumours.

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