2-isocyanatooctane

Base Information

• Chemical Name: 2-isocyanatooctane
• CAS No.: 99064-98-9
• Molecular Formula: C₉H₁₇NO
• Molecular Weight: 155.24
• Mol file: 99064-98-9.mol

Synonyms:

Chemical Property of 2-isocyanatooctane

Chemical Property:

• Density: 0.88

Purity/Quality:

2-Isocyanatooctane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-isocyanatooctane

There total 5 articles about 2-isocyanatooctane 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: 97.0%

trimethyl-(1-methyl-heptyloxy)-silane (18023-52-4) + tetrabutylammonium isocyanate (39139-87-2) → 2-isocyanatooctane (99064-98-9)

Guidance literature:

With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; at 20 ℃; for 8h;

DOI:10.1055/s-2005-869906

Reference yield: 90.0%

rac-octan-2-ol (4128-31-8,113301-48-7,4128-32-9) + tetrabutylammonium isocyanate (39139-87-2) → 2-isocyanatooctane (99064-98-9)

Guidance literature:

With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; at 20 ℃; for 7.5h;

DOI:10.1055/s-2005-869906

Reference yield: 90.0%

2-(2-tetrahydropyranyloxy)octane (140387-66-2,140387-67-3,69993-79-9,70702-57-7) + tetrabutylammonium isocyanate (39139-87-2) → 2-isocyanatooctane (99064-98-9)

Guidance literature:

With triphenylphosphine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In acetonitrile; for 11h; Reflux;

DOI:10.1080/10426500802508212

upstream raw materials:

rac-2-aminooctane

trichloromethyl chloroformate

rac-octan-2-ol

tetrabutylammonium isocyanate

Refernces

• 1、 Akhlaghinia, Batool,Samiei, Sima. "Triphenylphosphine/2,3-dichloro-5,6-dicyanobenzoquinone (DDQ)/[n-Bu4N]OCN as a useful system for the efficient conversion of tetrahydropyranyl (THP) ethers to the corresponding alkyl isocyanates". experimental part. p. 2525 - 2529. Retrieved 2010/03/31.
• 2、 Sasse, Astrid,Kiec-Kononowicz, Katarzyna,Stark, Holger,Motyl, Malgorzata,Reidemeister, Sibylle,Ganellin, C. Robin,Ligneau, Xavier,Schwartz, Jean-Charles,Schunack, Walter. "Development of chiral N-alkylcarbamates as new leads for potent and selective H3-receptor antagonists: Synthesis, capillary electrophoresis, and in vitro and oral in vivo activity". . p. 593 - 600. Retrieved 2007/10/03.