4460-02-0 | Methyl 2,6-diisocyanatohexanoate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$122.00	$86.00
5g	95%	in stock	$315.00	$221.00
10g	95%	in stock	$480.00	$336.00
25g	95%	in stock	$900.00	$630.00

Description

• Catalog Number: AB49943
• Chemical Name: Methyl 2,6-diisocyanatohexanoate
• CAS Number: 4460-02-0
• Molecular Formula: C9H12N2O4
• Molecular Weight: 212.2026
• MDL Number: MFCD16293867
• SMILES: O=C=NCCCCC(C(=O)OC)N=C=O

Computed Properties

• Complexity: 291
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Undefined Atom Stereocenter Count: 1
• XLogP3: 3

Upstream Synthesis Route

Methyl 2,6-diisocyanatohexanoate is a versatile compound commonly employed in chemical synthesis as a key building block for the production of polyurethane materials. In the field of organic chemistry, this compound serves as a crucial intermediate for the synthesis of various polyurethane-based products, including adhesives, coatings, foams, and elastomers. Its reactive diisocyanate groups enable it to undergo polymerization reactions with polyols or other compounds containing hydroxyl (-OH) groups, leading to the formation of polyurethane polymers with diverse properties and applications. Methyl 2,6-diisocyanatohexanoate's compatibility with a wide range of other chemicals and its ability to tailor the properties of resulting polyurethane materials make it a valuable component in the development of specialized coatings, adhesives, and flexible or rigid foams for industries such as construction, automotive, and aerospace.

Literature

• Evaluation of in situ curable biodegradable polyurethanes containing zwitterion components.

  Journal of materials science. Materials in medicine 20100401

• In situ organogelation at room temperature: direct synthesis of gelators in organic solvents.

  Organic & biomolecular chemistry 20040421