71432-55-8 | tert-Butyl N,N'-diisopropylcarbamimidate

Packsize	Purity	Availability	Price	Discounted Price
5g	95%	in stock	$12.00	$8.00
10g	95%	in stock	$17.00	$12.00
25g	95%	in stock	$29.00	$21.00
50g	95%	in stock	$52.00	$36.00
100g	95%	in stock	$78.00	$54.00
250g	95%	in stock	$140.00	$98.00
500g	95%	in stock	$276.00	$194.00

Description

• Catalog Number: AB47536
• Chemical Name: tert-Butyl N,N'-diisopropylcarbamimidate
• CAS Number: 71432-55-8
• Molecular Formula: C11H24N2O
• Molecular Weight: 200.3211
• MDL Number: MFCD06657672
• SMILES: CC(NC(=NC(C)C)OC(C)(C)C)C

Computed Properties

• Complexity: 190
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 5
• XLogP3: 2.6

Upstream Synthesis Route

The upstream synthesis route of tert-Butyl N,N'-diisopropylcarbamimidate generally involves the following steps:

1. Starting with diisopropylamine, the amine is first protected by reaction with a suitable protecting group such as Boc-anhydride (tert-Butyloxycarbonyl anhydride) to yield N-Boc-diisopropylamine.
2. The protected amine is then reacted with phosgene or a phosgene equivalent to introduce the carbonyl group, forming an isocyanate intermediate, Boc-N-diisopropylisocyanate.
3. This intermediate is then treated with tert-butanol in the presence of a base to yield the final product, tert-Butyl N,N'-diisopropylcarbamimidate.

Each reaction demands strict control of conditions such as temperature and stoichiometry to maximize yield and purity. Purification steps such as distillation or chromatography might be needed to isolate the desired product from side products and unreacted starting materials.