881637-11-2 | 2-Aminooxazole-5-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$145.00	$102.00
5g	98%	in stock	$541.00	$379.00
10g	98%	in stock	$1,047.00	$733.00
25g	98%	in stock	$2,159.00	$1,511.00

Description

• Catalog Number: AC03743
• Chemical Name: 2-Aminooxazole-5-carboxylic acid
• CAS Number: 881637-11-2
• Molecular Formula: C4H4N2O3
• Molecular Weight: 128.0862
• MDL Number: MFCD11504937
• SMILES: Nc1ncc(o1)C(=O)O

Computed Properties

• Complexity: 127
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 9
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: -0.2

Upstream Synthesis Route

The upstream synthesis of 2-Aminooxazole-5-carboxylic acid typically involves the following steps:

1. Start with cyanoacetyl urea as the precursor, which can be obtained by reacting cyanoacetic acid with urea.

2. Cyclize cyanoacetyl urea under acidic conditions to yield 2-oxazolone.

3. The resulting 2-oxazolone undergoes nucleophilic attack by ammonia or an ammonium salt to introduce the amino group, forming 2-aminooxazole-5-carboxylic acid.

It is crucial to control the reaction conditions, such as temperature, pH, and reactant ratios, to ensure high yield and purity of the final product.