875781-43-4 | 2-Bromo-5h-pyrrolo[2,3-b]pyrazine

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$8.00	$5.00
1g	95%	in stock	$13.00	$9.00
5g	95%	in stock	$30.00	$21.00
10g	95%	in stock	$59.00	$42.00
25g	95%	in stock	$147.00	$103.00
250g	95%	in stock	$1,325.00	$928.00

Description

• Catalog Number: AB43863
• Chemical Name: 2-Bromo-5h-pyrrolo[2,3-b]pyrazine
• CAS Number: 875781-43-4
• Molecular Formula: C6H4BrN3
• Molecular Weight: 198.0201
• MDL Number: MFCD09834822
• SMILES: Brc1cnc2c(n1)cc[nH]2

Computed Properties

• Complexity: 130
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• XLogP3: 1.4

Upstream Synthesis Route

The synthesis of 2-Bromo-5H-pyrrolo[2,3-b]pyrazine can be achieved through the following upstream synthetic route:

1. Starting with pyrrole, perform a condensation reaction with ethyl acetoacetate in the presence of ammonium acetate to obtain the corresponding pyrrole-2-carboxylate derivative.

2. The ethyl ester group of the pyrrole-2-carboxylate derivative is then hydrolyzed to yield the corresponding pyrrole-2-carboxylic acid.

3. Next, the carboxylic acid undergoes a coupling reaction with hydrazine, followed by cyclization, to form the pyrrolo[2,3-b]pyrazine core.

4. A halogenation step is introduced by treating the pyrrolo[2,3-b]pyrazine with N-bromosuccinimide (NBS) to selectively introduce the bromo substituent at the 2-position, resulting in the desired product, 2-Bromo-5H-pyrrolo[2,3-b]pyrazine.

5. Purification steps include, but are not limited to, precipitation, crystallization, or chromatography to achieve the compound at a desired level of purity.

Throughout this synthesis, reaction conditions such as temperature, solvent, and reaction time must be carefully controlled to achieve high yields and desired selectivity for each step.