52333-88-7 | 2-Ethyloxazolo[4,5-b]pyridine

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$10.00	$7.00
5g	98%	in stock	$49.00	$35.00

Description

• Catalog Number: AG31196
• Chemical Name: 2-Ethyloxazolo[4,5-b]pyridine
• CAS Number: 52333-88-7
• Molecular Formula: C8H8N2O
• Molecular Weight: 148.1619
• MDL Number: MFCD11110208
• SMILES: CCc1nc2c(o1)cccn2

Computed Properties

• Complexity: 140
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• XLogP3: 1.9

Upstream Synthesis Route

The synthesis of 2-Ethyloxazolo[4,5-b]pyridine can be achieved starting from ethyl 2-pyridinecarboxylate. The steps involved in the upstream synthesis are as follows:

1. **Conversion to 2-Pyridyl ketone**:
Ethyl 2-pyridinecarboxylate is subjected to a Claisen condensation to yield the corresponding 2-pyridyl ketone.

2. **Formation of Oxazole Ring**:
The ketone is then reacted with hydroxylamine under acidic conditions to form the oxime, which is further dehydrated under acidic conditions (such as using polyphosphoric acid) to yield the oxazole ring, specifically 2-ethyloxazole.

3. **Ring Closure to Form Pyridine**:
Finally, the transformation of the 2-ethyloxazole to the target 2-Ethyloxazolo[4,5-b]pyridine involves an intramolecular cyclization which can be achieved under dehydrating conditions, often by the use of a dehydrating agent like POCl3 in the presence of an amine base.

Each of these steps must be followed by purification processes such as recrystallization or column chromatography to ensure the removal of side products and unreacted starting materials. The conditions for each reaction need to be optimized for the best yield and purity of the desired compound.