188111-79-7 | tert-Butyl (3R)-3-aminopiperidine-1-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$10.00	$7.00
5g	97%	in stock	$11.00	$8.00
10g	97%	in stock	$14.00	$10.00
25g	97%	in stock	$29.00	$21.00
100g	97%	in stock	$108.00	$76.00
500g	97%	in stock	$447.00	$313.00

Description

• Catalog Number: AB42884
• Chemical Name: tert-Butyl (3R)-3-aminopiperidine-1-carboxylate
• CAS Number: 188111-79-7
• Molecular Formula: C10H20N2O2
• Molecular Weight: 200.278
• MDL Number: MFCD03094717
• SMILES: N[C@@H]1CCCN(C1)C(=O)OC(C)(C)C

Computed Properties

• Complexity: 211
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 0.7

Upstream Synthesis Route

The upstream synthesis route for tert-Butyl (3R)-3-aminopiperidine-1-carboxylate involves several steps starting from basic building blocks such as 1,5-dibromopentane and (R)-1-phenylethanamine.

1. Enantioselective synthesis of (R)-1-phenylethanamine.
2. Amine nucleophilic substitution reaction with 1,5-dibromopentane to form an intermediate N-substituted piperidine.
3. Formation of the 3-piperidinol through reduction of the nitrile group on the piperidine ring.
4. Protection of the amine using a tert-butoxycarbonyl (Boc) group to yield tert-Butyl (3R)-3-aminopiperidine-1-carboxylate.

Each step must be followed by purification (e.g., column chromatography, recrystallization) and chiral HPLC monitoring to ensure the retention of the (R)-stereochemistry throughout the synthesis.