3-Isocyanatopropyltrimethoxysilane

Base Information

• Chemical Name: 3-Isocyanatopropyltrimethoxysilane
• CAS No.: 15396-00-6
• Deprecated CAS: 127274-08-2,133556-58-8,180983-94-2,799763-22-7,1114991-16-0,649740-09-0,1114991-16-0,133556-58-8,180983-94-2,649740-09-0,799763-22-7
• Molecular Formula: C7H15NO4Si
• Molecular Weight: 205.286
• Hs Code.: 29319090
• European Community (EC) Number: 239-415-9
• UNII: 2LKG0E58XB
• DSSTox Substance ID: DTXSID2065882
• Nikkaji Number: J195.938G
• Wikidata: Q27254895
• Mol file: 15396-00-6.mol

Synonyms:Isocyanicacid, 3-(trimethoxysilyl)propyl ester (8CI);(3-Isocyanatopropyl)trimethoxysilane;Silane,(3-isocyanatopropyl)trimethoxy-;A-Link 35;Geniosil GF 40;KBK 9007;SII6456.0;Silquest A-Link 35;Silquest Y 5187;Y 5187;gamma-Isocyanopropyltrimethoxysilane;(gamma-Isocyanatopropyl)trimethoxysilane;1-Isocyanato-3-trimethoxysilylpropane;3-(Trimethoxysilyl)propyl isocyanate;

Chemical Property of 3-Isocyanatopropyltrimethoxysilane

Chemical Property:

• Appearance/Colour: Colorless clear liquid
• Vapor Pressure: 0.272mmHg at 25°C
• Melting Point: <0 °C
• Refractive Index: 1.421
• Boiling Point: 203.8 °C at 760 mmHg
• Flash Point: 77.1 °C
• PSA: 27.69000
• Density: 1 g/cm³
• LogP: 0.40460
• Water Solubility.: 1000g/L at 20℃
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 205.07703449
• Heavy Atom Count: 13
• Complexity: 169

Purity/Quality:

99.9% ^*data from raw suppliers

3-Isocyanatopropyl(trimethoxy)silane ^*data from reagent suppliers

Safty Information:

• Statements: 21/22-26-34-42
• Safety Statements: 23-26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CO[Si](CCCN=C=O)(OC)OC

Technology Process of 3-Isocyanatopropyltrimethoxysilane

There total 9 articles about 3-Isocyanatopropyltrimethoxysilane 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: 98.2%

3-(trimethoxysilyl)propan-1-amine (13822-56-5) + urea (57-13-6) → 3-(trimethoxysilyl)propyl isocyanate (15396-00-6)

Guidance literature:

3-(trimethoxysilyl)propan-1-amine; urea; With Trimethyl orthoacetate; In dimethyl sulfoxide; at 90 - 95 ℃; for 9h;

With sulfuric acid; copper(II) oxide; In dimethyl sulfoxide; at 75 - 80 ℃; for 4.5h; pH=6.5; Concentration; Temperature; pH-value;

Reference yield: 96.0%

N-(3-trimethoxysilylpropyl) O-methyl carbamate (23432-62-4) → 3-(trimethoxysilyl)propyl isocyanate (15396-00-6)

Guidance literature:

With Methyltrichlorosilane; triethylamine; In toluene; at 40 - 100 ℃; for 1h; Inert atmosphere;

Reference yield: 95.0%

trimethoxysilane (2487-90-3) + allylisocyanate (1476-23-9) → 3-(trimethoxysilyl)propyl isocyanate (15396-00-6)

Guidance literature:

With platinum⁽⁰⁾-1,3-divinyl-1,1,3,3-tetramethyldisiloxane complex; at 50 - 80 ℃; for 3h;

upstream raw materials:

N-(3-trimethoxysilylpropyl) O-methyl carbamate

phosgene

3-(trimethoxysilyl)propan-1-amine

urea

Downstream raw materials:

C₄₇H₂₉F₁₅GaN₇O₄Si

C₄₉H₆₈N₆O₉Si₂

tris-[3-(trimethoxysilyl)propyl]isocyanurate

Refernces

• 1、 -. "The isocyanate group-containing alkoxysilane method (by machine translation)". Paragraph 0102; 0107-0112. . Retrieved 2020/10/03.
• 2、 -. "PROCESS FOR PREPARING ISOCYANATES CONTAINING ALKOXYSILANE GROUPS". Paragraph 0087; 0088; 0089; 0090; 0091; 0092; 0093. . Retrieved 2019/10/17.