1142211-17-3 | N-Boc-1-amino-cyclobutyl-methanol

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$13.00	$9.00
1g	95%	in stock	$33.00	$23.00
5g	95%	in stock	$123.00	$86.00
25g	95%	in stock	$491.00	$344.00

Description

• Catalog Number: AA13882
• Chemical Name: N-Boc-1-amino-cyclobutyl-methanol
• CAS Number: 1142211-17-3
• Molecular Formula: C10H19NO3
• Molecular Weight: 201.2628
• MDL Number: MFCD12028429
• SMILES: OCC1(CCC1)NC(=O)OC(C)(C)C

Computed Properties

• Complexity: 216
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 4
• XLogP3: 1

Upstream Synthesis Route

To synthesize N-Boc-1-amino-cyclobutyl-methanol, one could potentially implement the following upstream route:

1. **Start with cyclobutanone**: This is an accessible starting material for synthesizing cyclobutyl-containing compounds.

2. **Grignard Reaction**: Perform a Grignard reaction by reacting cyclobutanone with methylmagnesium bromide (CH3MgBr), yielding 1-cyclobutylmethanol after hydrolysis.

3. **Amination**: Convert the alcohol group to an amine through reductive amination. This can be achieved by reaction with ammonia in the presence of a reducing agent such as sodium cyanoborohydride (NaBH3CN).

4. **Protection of the amine**: Introduce a Boc group (tert-Butyloxycarbonyl) to protect the newly formed amine. This can be accomplished using di-tert-butyl dicarbonate (Boc2O) in the presence of a base such as sodium hydroxide (NaOH) or triethylamine (Et3N).

Each reaction step requires appropriate purification techniques such as column chromatography and would be followed by characterization of intermediates and the final product utilizing techniques such as NMR, IR, and mass spectrometry to ensure the correct structure and purity.