Triethoxy(3-isocyanatopropyl)silane

Base Information

• Chemical Name: Triethoxy(3-isocyanatopropyl)silane
• CAS No.: 24801-88-5
• Deprecated CAS: 133556-57-7,1808177-12-9,1808177-12-9
• Molecular Formula: C10H21NO4Si
• Molecular Weight: 247.367
• Hs Code.: 29319090
• European Community (EC) Number: 246-467-6
• UNII: 9BR6002P6E
• DSSTox Substance ID: DTXSID4038847
• Nikkaji Number: J195.937I
• Wikidata: Q27272327
• ChEMBL ID: CHEMBL3187620
• Mol file: 24801-88-5.mol

Synonyms:(3-isocyanatopropyl) triethoxysilane;IPTES cpd;IPTS cpd

Chemical Property of Triethoxy(3-isocyanatopropyl)silane

Chemical Property:

• Appearance/Colour: colorless to yellow liquid
• Vapor Pressure: 0.0106mmHg at 25°C
• Melting Point: <0oC
• Refractive Index: n20/D 1.42(lit.)
• Boiling Point: 263 °C at 760 mmHg
• Flash Point: 112.9 °C
• PSA: 57.12000
• Density: 0.98 g/cm³
• LogP: 1.76070
• Storage Temp.: 2-8°C
• Sensitive.: Moisture Sensitive
• Water Solubility.: Hydrolyzes in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 247.12398469
• Heavy Atom Count: 16
• Complexity: 202

Purity/Quality:

97% ^*data from raw suppliers

3-Isocyanatopropyltriethoxysilane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 21/22-26-34-42
• Safety Statements: 23-26-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Metals -> Metalloid Compounds (Silicon)
• Canonical SMILES: CCO[Si](CCCN=C=O)(OCC)OCC
• General Description: 3-Isocyanatopropyltriethoxysilane (TESPIC) is a silane coupling agent used in the synthesis of hybrid materials, where it serves as a crosslinking reagent to covalently bridge inorganic silica and organic polymer chains. In this study, it contributes to forming sulfide-bridged molecular linkages, enabling the assembly of photofunctional Eu3?/Tb3? hybrid systems with enhanced luminescence properties, thermal stability, and mechanical strength. Its isocyanate and triethoxysilyl groups facilitate dual functionalization, making it valuable for designing advanced hybrid materials for optical applications.

Technology Process of Triethoxy(3-isocyanatopropyl)silane

There total 6 articles about Triethoxy(3-isocyanatopropyl)silane 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: 99.5%

potassium cyanate (590-28-3) + (3-chloropropyl)triethoxysilane (5089-70-3) → 3-(triethoxypropyl) isocyanate (24801-88-5)

Guidance literature:

at 100 ℃; for 12h; Temperature; Inert atmosphere; Ionic liquid;

Reference yield: 95.7%

Triethoxysilane (998-30-1) + allylisocyanate (1476-23-9) → 3-(triethoxypropyl) isocyanate (24801-88-5)

Guidance literature:

With platinum⁽⁰⁾-1,3-divinyl-1,1,3,3-tetramethyldisiloxane complex; at 40 - 85 ℃; for 4.5h;

Reference yield: 92.0%

N-(3-triethoxysilylpropyl)-O-ethylcarbamate (17945-05-0) → 3-(triethoxypropyl) isocyanate (24801-88-5)

Guidance literature:

at 220 ℃; under 37.5038 Torr;

upstream raw materials:

3-aminopropyltriethoxysilane

N-(3-triethoxysilylpropyl)-O-ethylcarbamate

(3-chloropropyl)triethoxysilane

urea

Downstream raw materials:

(S)-1-(3-triethoxysilylpropyl)aminocarbonyl-2-diphenylphosphinomethylpyrrolidine

(2S,4S)-N-(-3-triethoxysilyl)propylaminocarbonyl-4-hydroxy-4-phenyl-2-(1,1-diphenylmethyl)pyrrolidinylmethanol

(2S,4R)-N-(-3-triethoxysilyl)propylaminocarbonyl-4-hydroxy-4-phenyl-2-(1,1-diphenylmethyl)pyrrolidinylmethanol

N,N'-bis[3-(trimethoxysilyl)propylamino]-trans-(1R,2R)-(-)-cyclohexadiamine

Refernces

Photofunctional Eu³⁺/Tb³⁺ hybrid material with inorganic silica covalently linking polymer chain through their double functionalization

10.1016/j.ica.2011.06.036

The study focuses on the synthesis and characterization of photofunctional Eu3+/Tb3+ hybrid materials, which are inorganic silica covalently linked to organic polymer chains through sulfide bridges. The main chemicals used include 2-thiosalicylic acid (TSA), crosslinking reagents 3-chloropropyltrimethoxysilane (CTPMS) and 3-(triethoxysilyl)-propyl isocyanate (TESPIC), tetraethoxysilane (TEOS), europium and terbium nitrates, and organic polymers polyacrylamide (PAM) and polyethylene glycol (PEG). These chemicals serve to create sulfide-bridged molecular linkages and polymeric silane derivatives, which are then assembled into multi-component hybrid materials through co-hydrolysis and co-polycondensation with TEOS. The purpose of these materials is to improve photoluminescence properties by integrating the benefits of both inorganic silica and organic polymers, such as enhanced thermal or optical stabilities, chemical stability, and mechanical strength. The study aims to develop hybrid systems with improved luminescence behavior for potential applications in luminescence and laser fields.