Methyl 2,6-diisocyanatohexanoate

Base Information

• Chemical Name: Methyl 2,6-diisocyanatohexanoate
• CAS No.: 4460-02-0
• Molecular Formula: C9H12N2O4
• Molecular Weight: 212.205
• Hs Code.: 2929109000
• European Community (EC) Number: 224-712-8
• DSSTox Substance ID: DTXSID401303005
• Nikkaji Number: J56.114B
• Mol file: 4460-02-0.mol

Synonyms:Methyl 2,6-diisocyanatohexanoate;4460-02-0;Methyl 2,6-Diisocyanatocaproate;Hexanoic acid, 2,6-diisocyanato-, methyl ester;EINECS 224-712-8;L-Lysine Methyl Ester Diisocyanate;lysin diisocyanate;SCHEMBL129773;DTXSID401303005;AKOS028110334;AS-60796;FT-0671690;D93042

Chemical Property of Methyl 2,6-diisocyanatohexanoate

Chemical Property:

• PSA: 85.16000
• LogP: 0.36990
• Storage Temp.: -20?C Freezer, Under Inert Atmosphere
• Solubility.: Chloroform, Methanol
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 212.07970687
• Heavy Atom Count: 15
• Complexity: 291

Purity/Quality:

98%min ^*data from raw suppliers

Methyl2,6-Diisocyanatocaproate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(CCCCN=C=O)N=C=O
• Uses: Methyl 2,6-diisocyanatohexanoate is a biocompatible component useful for forming compounds for use as medical/surgical synthetic adhesives and sealants.

Technology Process of Methyl 2,6-diisocyanatohexanoate

There total 3 articles about Methyl 2,6-diisocyanatohexanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 83.0%

C21H24N2O6 → 2,6-Diisocyanatohexansaeure-methylester (4460-02-0)

Guidance literature:

With DURANATE TPA-100; at 200 - 250 ℃; for 200h; Temperature;

Reference yield:

potassium cyanate (590-28-3) + 2,6-Dibromhexansaeure-methylester (29547-05-5) → 2,6-Diisocyanatohexansaeure-methylester (4460-02-0) + 6-Brom-2-isocyanatohexansaeure-methylester

Guidance literature:

With 18-crown-6 ether; In acetonitrile; for 4.5h; Title compound not separated from byproducts; Heating;

Reference yield:

→ 2,6-Diisocyanatohexansaeure-methylester (4460-02-0)

Guidance literature:

Entspr. Lysin-ester, COCl2;

upstream raw materials:

potassium cyanate

2,6-Dibromhexansaeure-methylester

Refernces

• 1、 Effenberger, Franz,Drauz, Karlheinz,Foerster, Siegfried,Mueller, Wolfgang. "Aminosaeuren, I. Darstellung von Aminosaeuren aus Halogencarbonsaeure-alkylestern mit Alkalimetallcyanaten". . p. 173 - 189. Retrieved 2007/10/02.