1,8-Diisocyanatooctane

Base Information

• Chemical Name: 1,8-Diisocyanatooctane
• CAS No.: 10124-86-4
• Molecular Formula: C10H16 N2 O2
• Molecular Weight: 196.249
• Hs Code.: 2929109000
• European Community (EC) Number: 626-952-2
• DSSTox Substance ID: DTXSID60369847
• Nikkaji Number: J239.051E
• Mol file: 10124-86-4.mol

Synonyms:1,8-Diisocyanatooctane;10124-86-4;Octamethylene diisocyanate;octamethylenediisocyanate;SCHEMBL43625;1,8-Diisocyanatooctane, 98%;DTXSID60369847;QUPKOUOXSNGVLB-UHFFFAOYSA-N;GEO-01114;MFCD00216582;AKOS015913573;MEt 4-chloro-3-methoxy-2-(E)-butanoate;FT-0607061;J-640305;J-800309

Chemical Property of 1,8-Diisocyanatooctane

Chemical Property:

• Vapor Pressure: 0.00309mmHg at 25°C
• Refractive Index: n20/D 1.455(lit.)
• Boiling Point: 156 °C15 mm Hg(lit.)
• Flash Point: >230 °F
• PSA: 58.86000
• Density: 1.007 g/mL at 25 °C(lit.)
• LogP: 1.99860
• Storage Temp.: 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 196.121177757
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

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

1,8-Diisocyanatooctane 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-27-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCN=C=O)CCCN=C=O

Technology Process of 1,8-Diisocyanatooctane

There total 12 articles about 1,8-Diisocyanatooctane 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: 68.0%

→ 1,8-diisocyanatooctane (10124-86-4)

Guidance literature:

Reference yield:

1,8-diaminooctan (373-44-4) + bis(trichloromethyl) carbonate (32315-10-9) → 1,8-diisocyanatooctane (10124-86-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1016/j.bmc.2015.01.012

Reference yield:

1,8-diaminooctan (373-44-4) + di-tert-butyl tricarbonate (24424-95-1) → 1,8-diisocyanatooctane (10124-86-4)

Guidance literature:

In dichloromethane; at 20 ℃; for 1h;

DOI:10.1002/chem.200204495

upstream raw materials:

sebacic acid dihydrazide

phosgene

1,8-diaminooctan

di-tert-butyl tricarbonate

Downstream raw materials:

1,8-diaminooctan

C₄₄H₇₈N₈O₄

(S,5S,5′S,8S,8′S,10aR,10a′R)-N3,N3′-(octane-1,8-diyl)bis(N8-benzhydryl-5-((S)-2-(methylamino)propanamido)-6-oxooctahydropyrrolo[1,2-a][1,5]diazocine-3,8(4H)-dicarboxamide)

Refernces

• 1、 Ignat'Ev,Kolyamshin,Kuz'Min,Rogozhina,Kol'Tsov. "Synthesis of aliphatic hydroxyethyl-substituted ureas". . p. 121 - 122. Retrieved 2015.
• 2、 -. "Preparation of isocyanates using a silver salt promoted rearrangement". . . Retrieved 2008/06/13.