206989-61-9 | 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$7.00	$5.00
5g	98%	in stock	$10.00	$7.00
10g	98%	in stock	$16.00	$12.00
25g	98%	in stock	$40.00	$28.00

Description

• Catalog Number: AB17458
• Chemical Name: 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester
• CAS Number: 206989-61-9
• Molecular Formula: C12H21NO3
• Molecular Weight: 227.3
• MDL Number: MFCD08437655
• SMILES: CC(=O)C1CCN(CC1)C(=O)OC(C)(C)C

Computed Properties

• Complexity: 273
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• XLogP3: 1.3

Upstream Synthesis Route

The upstream synthesis of 4-Acetyl-piperidine-1-carboxylic acid tert-butyl ester typically involves the following steps:

1. **Synthesis of Piperidin-4-one**: Starting from gamma-butyrolactone (γ-butyrolactone), carry out an amination reaction using ammonia and a catalyst such as Raney nickel or cobalt. This cyclizes to form the piperidin-4-one.

2. **Acetylation**: Perform an acetylation of piperidin-4-one using an acetylating agent like acetic anhydride in the presence of a base, resulting in 4-acetyl-piperidin-4-one.

3. **Esterification**: React the 4-acetyl-piperidin-4-one with tert-butanol and a coupling reagent like DCC (dicyclohexylcarbodiimide) or DIC (diisopropylcarbodiimide) in the presence of a catalyst (e.g., DMAP (4-dimethylaminopyridine)) to form the tert-butyl ester of 4-acetyl-piperidine-1-carboxylic acid.

Each of these reactions requires careful control of conditions including temperature, pH, solvent, and time to optimize yields and purity of the desired product. Safety precautions must be taken during the process to handle chemicals and reactions safely.