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ETHYL 5-BROMO-3-FORMYL-1H-INDOLE-2-CARBOXYLATE is an organic compound that serves as a valuable building block in the synthesis of various chemical compounds. It is characterized by its unique molecular structure, which includes a bromo and formyl group attached to an indole core, and a carboxylate group attached to an ethyl ester. This structure endows it with potential reactivity and versatility in chemical reactions, making it a useful intermediate in the development of new molecules with diverse applications.

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  • 100123-25-9 Structure
  • Basic information

    1. Product Name: ETHYL 5-BROMO-3-FORMYL-1H-INDOLE-2-CARBOXYLATE
    2. Synonyms: 5-BROMO-3-FORMYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER;ETHYL 5-BROMO-3-FORMYL-1H-INDOLE-2-CARBOXYLATE
    3. CAS NO:100123-25-9
    4. Molecular Formula: C12H10BrNO3
    5. Molecular Weight: 296.12
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 100123-25-9.mol
  • Chemical Properties

    1. Melting Point: 245 °C(Solv: ethanol (64-17-5))
    2. Boiling Point: 476.7±45.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.608±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
    8. Solubility: N/A
    9. PKA: 12.56±0.30(Predicted)
    10. CAS DataBase Reference: ETHYL 5-BROMO-3-FORMYL-1H-INDOLE-2-CARBOXYLATE(CAS DataBase Reference)
    11. NIST Chemistry Reference: ETHYL 5-BROMO-3-FORMYL-1H-INDOLE-2-CARBOXYLATE(100123-25-9)
    12. EPA Substance Registry System: ETHYL 5-BROMO-3-FORMYL-1H-INDOLE-2-CARBOXYLATE(100123-25-9)
  • 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: 100123-25-9(Hazardous Substances Data)

100123-25-9 Usage

Uses

Used in Pharmaceutical Industry:
ETHYL 5-BROMO-3-FORMYL-1H-INDOLE-2-CARBOXYLATE is used as a synthetic building block for the development of novel pharmaceutical compounds. Its unique structure allows for the creation of new molecules with potential therapeutic properties, contributing to the advancement of drug discovery and development.
Used in Chemical Research:
In the field of chemical research, ETHYL 5-BROMO-3-FORMYL-1H-INDOLE-2-CARBOXYLATE is used as a reactant in various synthetic reactions. Its reactivity and structural features make it a valuable tool for exploring new synthetic pathways and developing innovative chemical processes.
Used in the Synthesis of Hydroxyindolecarboxylates:
ETHYL 5-BROMO-3-FORMYL-1H-INDOLE-2-CARBOXYLATE is used as a reactant in the synthetic preparation of hydroxyindolecarboxylates through Baeyer-Villiger oxidation. This reaction is an important method for converting ketones into esters, and the use of this compound as a starting material can lead to the development of new hydroxyindolecarboxylate derivatives with potential applications in various fields, such as pharmaceuticals, agrochemicals, and materials science.

Check Digit Verification of cas no

The CAS Registry Mumber 100123-25-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,0,1,2 and 3 respectively; the second part has 2 digits, 2 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 100123-25:
(8*1)+(7*0)+(6*0)+(5*1)+(4*2)+(3*3)+(2*2)+(1*5)=39
39 % 10 = 9
So 100123-25-9 is a valid CAS Registry Number.

100123-25-9SDS

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 ETHYL 5-BROMO-3-FORMYL-1H-INDOLE-2-CARBOXYLATE

1.2 Other means of identification

Product number -
Other names 5-bromo-3-formyl-indole-2-carboxylic acid ethyl ester

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:100123-25-9 SDS

100123-25-9Relevant articles and documents

A concise synthesis of 3-hydroxyindole-2-carboxylates by a modified Baeyer-Villiger oxidation

Hickman,Sturino,Lachance

, p. 8217 - 8220 (2000)

Indole-2-carboxylates are converted in good yields to 3-hydroxyindole-2-carboxylates by use of a Vilsmeier-Haack/Baeyer-Villiger reaction sequence. A systematic examination of the various indole substituents revealed this route to be general in scope. (C) 2000 Published by Elsevier Science Ltd.

Design of C3-Alkenyl-Substituted 2-Indolylmethanols for Catalytic Asymmetric Interrupted Nazarov-Type Cyclization

Wang, Cong-Shuai,Wu, Jia-Le,Li, Can,Li, Lin-Zhi,Mei, Guang-Jian,Shi, Feng

supporting information, p. 846 - 851 (2018/03/06)

The C3-alkenyl-substituted 2-indolylmethanols have been designed as a new class of substrates for catalytic asymmetric interrupted Nazarov-type cyclizations. In the presence of chiral phosphoric acid as a mild chiral Br?nsted acid, the interrupted Nazarov

INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION

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Page/Page column 152, (2008/06/13)

There is provided compounds of formula (I), wherein X1, Q, T, Y, R1, R2, R3, R4 and R5 have meanings given in the description, and pharmaceutically-acceptable salts thereof, which compounds

INDOLES USEFUL IN THE TREATMENT OF INFLAMATION

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Page/Page column 89, (2008/06/13)

There is provided compounds of formula (I), Wherein T, Y, X1 , R1, R2, R3, R4 and R5 have meanings given in the description, and pharmaceutically-acceptable salts thereof, which compounds are useful in the treatment of diseases in which inhibition of the activity of a member of the MAPEG family is desired and/or required, and particularly in the treatment of inflammation.

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