127232-41-1 | Oxazole-5-methanol

Packsize	Purity	Availability	Price	Discounted Price
250mg	97%	in stock	$36.00	$26.00
1g	97%	in stock	$47.00	$33.00
5g	97%	in stock	$234.00	$164.00
10g	97%	in stock	$467.00	$327.00
25g	97%	in stock	$1,072.00	$751.00

Description

• Catalog Number: AA42285
• Chemical Name: Oxazole-5-methanol
• CAS Number: 127232-41-1
• Molecular Formula: C4H5NO2
• Molecular Weight: 99.088
• MDL Number: MFCD09027272
• SMILES: OCc1cnco1

Computed Properties

• Complexity: 57.7
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 7
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: -0.5

Upstream Synthesis Route

The upstream synthesis route for Oxazole-5-methanol typically involves the following steps:

1. **Condensation of an aliphatic amide and a carboxylic acid:** The synthesis starts with the cyclization of an α-aminonitrile and an aldehyde to yield an imidate which, upon hydrolysis, gives the desired amide. The amide can then be further reacted with a carboxylic acid in the presence of a dehydrating agent to induce cyclization into the oxazole ring.

2. **Derivatization to introduce the methanol group:** Following the formation of the oxazole ring, a methanol group can be introduced at the fifth position via nucleophilic substitution reactions. Halogenated oxazole or an oxazole with a leaving group at the required position can react with methanol under basic conditions to substitute and form Oxazole-5-methanol.

3. **Purification:** The synthesized Oxazole-5-methanol can be purified using typical organic chemistry purification techniques such as chromatography or recrystallization to achieve the desired purity.

4. **Characterization:** After purification, the product is typically analyzed using NMR, IR, GC-MS, or HPLC to confirm its structure and purity before use in subsequent applications or research.

The specifics of the reagents, catalysts, and conditions used in each step can vary significantly depending on the desired yield, scalability, and the substrates' accessibility, and therefore are optimized on a case-by-case basis.