1,5-Diisocyanato-2-methylpentane

Base Information

• Chemical Name: 1,5-Diisocyanato-2-methylpentane
• CAS No.: 34813-62-2
• Molecular Formula: C8H12 N2 O2
• Molecular Weight: 168.195
• Hs Code.: 2929109000
• European Community (EC) Number: 252-224-5
• DSSTox Substance ID: DTXSID80956293
• Nikkaji Number: J289.841A
• Mol file: 34813-62-2.mol

Synonyms:1,5-Diisocyanato-2-methylpentane;34813-62-2;EINECS 252-224-5;2-Methylpentane-1,5-diyl diisocyanate;SCHEMBL35780;DTXSID80956293;2-methylpentane-1,5-diisocyanate;AHBNSOZREBSAMG-UHFFFAOYSA-N;2-Methylpentane- 1,5-diisocyanate;2-methyl-1,5-pentanediyl diisocyanate;AKOS015913316;1,5-Diisocyanato-2-methylpentane, 98%

Chemical Property of 1,5-Diisocyanato-2-methylpentane

Chemical Property:

• Vapor Pressure: 0.0351mmHg at 25°C
• Refractive Index: n20/D 1.455(lit.)
• Boiling Point: 241.8°C at 760 mmHg
• Flash Point: >230 °F
• PSA: 58.86000
• Density: 1.049 g/mL at 25 °C(lit.)
• LogP: 1.07430
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 168.089877630
• Heavy Atom Count: 12
• Complexity: 203

Purity/Quality:

98%Min ^*data from raw suppliers

1,5-DIISOCYANATO-2-METHYLPENTANE 95.00% ^*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: CC(CCCN=C=O)CN=C=O

Technology Process of 1,5-Diisocyanato-2-methylpentane

There total 3 articles about 1,5-Diisocyanato-2-methylpentane 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%

dichloromethane (75-09-2) + 2-methylcadaverine (15520-10-2) + cyclohexyl-tetraethyl guanidine (4833-48-1) → 1,5-diisocyanato-2-methylpentane (34813-62-2)

Guidance literature:

With trichlorophosphate;

Reference yield:

(5-Methoxycarbonylamino-4-methyl-pentyl)-carbamic acid methyl ester → 1,5-diisocyanato-2-methylpentane (34813-62-2)

Guidance literature:

With 2-chloro-1,3,2-benzodioxaborole; triethylamine; In toluene; 1.) reflux, 5 min, 2.) 0.5 h;

DOI:10.1021/jo00106a044

Reference yield:

→ 1,5-diisocyanato-2-methylpentane (34813-62-2)

Guidance literature:

1,5-Diamino-2-methyl-pentan*2HCl, COCl2;

upstream raw materials:

dichloromethane

2-methylcadaverine

cyclohexyl-tetraethyl guanidine

Downstream raw materials:

2-methylcadaverine

Refernces

• 1、 Valli, V. L. K.,Alper, H.. "A Simple, Convenient, and Efficient Method for the Synthesis of Isocyanates from Urethanes". . p. 257 - 258. Retrieved 2007/10/02.
• 2、 -. "Storage-stable biuret polyisocyanates". . . Retrieved 2008/06/13.