Cyclopentyl isocyanate

Base Information

• Chemical Name: Cyclopentyl isocyanate
• CAS No.: 4747-71-1
• Molecular Formula: C6H9NO
• Molecular Weight: 111.144
• Hs Code.: 2929109000
• European Community (EC) Number: 628-278-4
• DSSTox Substance ID: DTXSID20349201
• Nikkaji Number: J2.940.085G
• Mol file: 4747-71-1.mol

Synonyms:Cyclopentyl isocyanate;4747-71-1;isocyanatocyclopentane;Cyclopentylisocyanate;cyclopentane, isocyanato-;MFCD02093695;Isocyanic Acid Cyclopentyl Ester;isocyanato cyclopentane;isocyanato-cyclopentane;SCHEMBL6196;Cyclopentyl isocyanate, 97%;DTXSID20349201;BBL036935;STK500758;AKOS000185060;AB10807;VS-13779;A7271;BB 0259968;C2543;FT-0635426;EN300-54825;F2147-0903;Z316172554

Chemical Property of Cyclopentyl isocyanate

Chemical Property:

• Appearance/Colour: liquid
• Vapor Pressure: 2.83 psi ( 20 °C)
• Refractive Index: n20/D 1.447(lit.)
• Boiling Point: 143.5 °C at 760 mmHg
• Flash Point: 42.2 °C
• PSA: 29.43000
• Density: 1.08 g/cm³
• LogP: 1.26480
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 111.068413911
• Heavy Atom Count: 8
• Complexity: 110

Purity/Quality:

99% ^*data from raw suppliers

Cyclopentyl isocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xn,Xi
• Statements: 10-20/21/22-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)N=C=O

Technology Process of Cyclopentyl isocyanate

There total 6 articles about Cyclopentyl 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: 55.0%

phosgene (75-44-5) + N-trimethylsilylcyclopentylamine (121954-93-6) → cyclopentyl isocyanate (4747-71-1)

Guidance literature:

In toluene; at 0 ℃;

DOI:10.1134/S1070363206030182

Reference yield:

Cyclopentamine (1003-03-8) → cyclopentyl isocyanate (4747-71-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 3 h / 63 - 65 °C

2: trichloro(phenyl)silane / 200 °C

With trichloro(phenyl)silane;

DOI:10.1134/S1070363206030182

Reference yield:

C9H19NO2Si → cyclopentyl isocyanate (4747-71-1)

Guidance literature:

With trichloro(phenyl)silane; at 200 ℃;

DOI:10.1134/S1070363206030182

upstream raw materials:

phosgene

Cyclopentamine

Cyclopentyl bromide

silver (I) nitro cyanamide

Downstream raw materials:

2-(4-cyclopentylcarbamoyl-piperazin-1-yl)-4-amino-6,7-dimethoxyquinazoline

3-(1,2,3-thiadiazol-4-yl)phenyl cyclopentylcarbamate

methyl 3-(cyclopentylcarbamoyloxy)benzoate

Refernces

• 1、 Lebedev,Lebedeva,Sheludyakov,Ovcharuk,Kovaleva,Ustinova. "Organosilicon synthesis of isocyanates: II. Synthesis of aliphatic, carbocyclic, and fatty-aromatic isocyanates". . p. 469 - 477. Retrieved 2008/02/07.
• 2、 HAYMAN,PETROW,STEPHENSON. "HYPOGLYCAEMIC AGENTS.". . p. 538 - 548. Retrieved 2007/10/07.