1346809-07-1 | tert-Butyl oxazol-5-ylcarbamate

Packsize	Purity	Availability	Price	Discounted Price
100mg	97%	in stock	$11.00	$8.00
250mg	97%	in stock	$20.00	$14.00
500mg	97%	in stock	$40.00	$28.00
1g	97%	in stock	$74.00	$52.00
5g	97%	in stock	$364.00	$255.00
25g	97%	in stock	$1,505.00	$1,054.00

Description

• Catalog Number: AB50300
• Chemical Name: tert-Butyl oxazol-5-ylcarbamate
• CAS Number: 1346809-07-1
• Molecular Formula: C8H12N2O3
• Molecular Weight: 184.1925
• MDL Number: MFCD19688646
• SMILES: O=C(Nc1ocnc1)OC(C)(C)C

Computed Properties

• Complexity: 188
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 1.2

Upstream Synthesis Route

The synthesis of tert-Butyl oxazol-5-ylcarbamate involves the following steps:

1. Synthesis of 4-Amino-5-bromooxazole:
Begin with the condensation of cyanoacetamide with bromoacetic acid under acidic conditions to form 2-bromo-4,5-dihydrooxazole-4-carboxamide. Next, treat this intermediate with bromine in the presence of phosphorus tribromide to obtain 4-amino-5-bromooxazole through substitution and ring closure.

2. Protection of the Amino Group:
Protect the amino group of 4-amino-5-bromooxazole by treating it with Boc-anhydride (tert-butyloxycarbonyl anhydride) under standard peptide coupling conditions to yield the protected intermediate, Boc-protected 5-bromooxazol-4-ylamine.

3. Installation of Carbamate:
Lastly, coupling the Boc-protected amine with an appropriate isocyanate, such as ethyl chloroformate, in the presence of a base, would typically give the final product, tert-Butyl oxazol-5-ylcarbamate, after purification.

Throughout the synthesis, reaction conditions—including temperature, solvent choice, and reaction times—need to be carefully controlled to maximize yield and purity of the final product. Purification can involve chromatography or crystallization methods as required.