1,6-Diisocyanohexane

Base Information

• Chemical Name: 1,6-Diisocyanohexane
• CAS No.: 929-57-7
• Molecular Formula: C8H12 N2
• Molecular Weight: 136.197
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID001319064
• Nikkaji Number: J49.394E
• Mol file: 929-57-7.mol

Synonyms:1,6-Diisocyanohexane;929-57-7;Hexane, 1,6-diisocyano-;1,6-diisocyanhexane;SCHEMBL418760;WJCPMQQLTJQIJK-UHFFFAOYSA-N;DTXSID001319064;AKOS015959195

Chemical Property of 1,6-Diisocyanohexane

Chemical Property:

• Melting Point: 21-23 °C(lit.)
• Refractive Index: n20/D 1.443(lit.)
• Boiling Point: 101-103 °C0.5 mm Hg(lit.)
• Flash Point: 146.2°C
• PSA: 0.00000
• Density: 0.924g/cm³
• LogP: 0.84680
• Storage Temp.: −20°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 136.100048391
• Heavy Atom Count: 10
• Complexity: 135

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,6-DIISOCYANOHEXANE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24-36
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitriles
• Canonical SMILES: [C-]#[N+]CCCCCC[N+]#[C-]
• Uses: 1,6-Diisocyanohexane was used in the synthesis of unusual tricyclic macroheterocycles by reacting with 1,1-diisityl-3,3,3-triisopropyldisilaphosphene and analogous disilaarsene.

Technology Process of 1,6-Diisocyanohexane

There total 5 articles about 1,6-Diisocyanohexane 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: 69.0%

1,6-Hexanediamine (124-09-4) + formamide (77287-34-4,77287-35-5,60100-09-6) → 1,6-di-isocyanohexane (929-57-7)

Guidance literature:

1,6-Hexanediamine; With formic acid ethyl ester; for 5h; Reflux;

formamide; With triethylamine; trichlorophosphate; In dichloromethane; at 0 ℃; for 2h;

DOI:10.1039/c4sm00675e

Reference yield:

hexanediyldiformamide (35161-65-0) → 1,6-di-isocyanohexane (929-57-7)

Guidance literature:

With phosgene; ammonia; triethylamine; Yield given. Multistep reaction; 1.) reflux, 2.) rt, 1h;

DOI:10.1039/DT9810000297

Reference yield:

1,6-Hexanediamine (124-09-4) → 1,6-di-isocyanohexane (929-57-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 5 h / Reflux

2: triethylamine; trichlorophosphate / dichloromethane / 0 °C

With triethylamine; trichlorophosphate; In dichloromethane;

DOI:10.3762/bjoc.7.131

upstream raw materials:

1,6-Hexanediamine

chloroform

hexanediyldiformamide

formamide

Downstream raw materials:

C₂₄H₃₄N₄O₄

C₃₈H₄₆N₄O₄

C₃₀H₄₆N₄O₂

N,N'-hexanediyl bis-(thiocarbamic acid (S-phenyl) ester)

Refernces

• 1、 Konrad, Waldemar,Bloesser, Fabian R.,Wetzel, Katharina S.,Boukis, Andreas C.,Meier, Michael A. R.,Barner-Kowollik, Christopher. "A Combined Photochemical and Multicomponent Reaction Approach to Precision Oligomers". supporting information. p. 3413 - 3419. Retrieved 2018/02/09.
• 2、 Goldeman, Waldemar,Nasulewicz-Goldeman, Anna. "Synthesis and antiproliferative activity of aromatic and aliphatic bis[aminomethylidene(bisphosphonic)] acids". supporting information. p. 3475 - 3479. Retrieved 2014/07/22.