Pentyl isocyanate

Base Information

• Chemical Name: Pentyl isocyanate
• CAS No.: 3954-13-0
• Molecular Formula: C6H11 N O
• Molecular Weight: 113.159
• Hs Code.: 29291090
• Mol file: 3954-13-0.mol

Synonyms:Isocyanicacid, pentyl ester (6CI,7CI,8CI); 1-Isocyanatopentane; Amyl isocyanate; Pentylisocyanate; n-Pentyl isocyanate

Chemical Property of Pentyl isocyanate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 14.1mmHg at 25°C
• Refractive Index: n20/D 1.414(lit.)
• Boiling Point: 136-137 ºC
• Flash Point: 32 ºC
• PSA: 29.43000
• Density: 0.878
• LogP: 1.51240
• Storage Temp.: Flammables area
• Sensitive.: Moisture Sensitive

Purity/Quality:

97% ^*data from raw suppliers

Pentyl isocyanate 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 10-20/21/22-36/37/38-41
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Pentyl Isocyanate is an isocyanate widely used in car paint formulations, a thermal degradation product of 1,6-hexamethylenediiso-cyanate-based (HDI) car paint. Also functions as a useful research chemical for proteomic research.

Technology Process of Pentyl isocyanate

There total 4 articles about Pentyl isocyanate 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: 85.0%

pentamethylene-1,5-di(methyl carbamate) (112343-33-6) → pentylisocyanate (3954-13-0) + 1,5-diisocyanatopentane (4538-42-5)

Guidance literature:

With dibutyltin(II) dilaurate; at 140 - 240 ℃; for 1.66667h; under 20 Torr; Reagent/catalyst;

Reference yield:

N-chloro-succinimide (128-09-6) + PdCl(CONHC5H11)(2,2'-dipyridine) → Succinimide (123-56-8,89963-74-6) + dichloro(2,2'-bipyridine)palladium(II) (14871-92-2) + pentylisocyanate (3954-13-0)

Guidance literature:

In tetrahydrofuran; react. PdCl(CONC5H11)(dipy) with N-chlorosuccinimide;

DOI:10.1021/om000198w

Reference yield:

N-chloro-succinimide (128-09-6) + PdCl(CONHC5H11)(1,10-phenanthroline) → Succinimide (123-56-8,89963-74-6) + [palladium(II)dichloride(1,10-phenanthroline)] (14783-10-9) + pentylisocyanate (3954-13-0)

Guidance literature:

In tetrahydrofuran; react. PdCl(CONC5H11)(phen) with N-chlorosuccinimide in THF;

DOI:10.1021/om000198w

upstream raw materials:

N-chloro-succinimide

pentamethylene-1,5-di(methyl carbamate)

Downstream raw materials:

(1R,2R)-2-(2,2-dichloro-acetylamino)-1-(4-nitro-phenyl)-3-pentylcarbamoyloxy-propan-1-ol

1-(4-chlorophenyl)-3-pentylurea

1-(4-methoxyphenyl)-3-pentylurea

N-pentyl-N'-phenylurea

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