103858-52-2 | Ethyl 4-bromo-1H-indole-2-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$14.00	$10.00
250mg	95%	in stock	$28.00	$19.00
1g	95%	in stock	$38.00	$27.00
5g	95%	in stock	$187.00	$131.00
10g	95%	in stock	$373.00	$261.00

Description

• Catalog Number: AB50472
• Chemical Name: Ethyl 4-bromo-1H-indole-2-carboxylate
• CAS Number: 103858-52-2
• Molecular Formula: C11H10BrNO2
• Molecular Weight: 268.1066
• MDL Number: MFCD12174997
• SMILES: CCOC(=O)c1cc2c([nH]1)cccc2Br

Computed Properties

• Complexity: 247
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 3.9

Upstream Synthesis Route

4-Bromo-1H-indole-2-carboxylic acid ethyl ester is a valuable compound widely utilized in chemical synthesis for its versatile applications. This compound serves as a key building block in the synthesis of various biologically active molecules, pharmaceuticals, agrochemicals, and materials.1. Cross-coupling Reactions: 4-Bromo-1H-indole-2-carboxylic acid ethyl ester is often used as a substrate in cross-coupling reactions, such as Suzuki-Miyaura and Heck reactions, to introduce functional groups onto the indole ring. These reactions enable the modification of the molecular structure to enhance the desired biological or chemical properties.2. Medicinal Chemistry: The ethyl ester derivative of 4-Bromo-1H-indole-2-carboxylic acid is an essential intermediate in the synthesis of potential drug candidates targeting various diseases. By incorporating this compound into the molecular structure, medicinal chemists can explore new chemical entities with enhanced pharmacological activities.3. Peptide Synthesis: The indole moiety in 4-Bromo-1H-indole-2-carboxylic acid ethyl ester can serve as a versatile handle for peptide conjugation. This compound is utilized in peptide synthesis to introduce indole-containing building blocks, facilitating peptide modifications and enhancing their biological activities.4. Material Science: Researchers also employ 4-Bromo-1H-indole-2-carboxylic acid ethyl ester in material science applications, including the development of functional materials and catalysts. By incorporating this compound into the molecular design, novel materials with tailored properties can be synthesized for diverse industrial applications.