Silane, trimethyl(4-nitrophenyl)-

Base Information

• Chemical Name: Silane, trimethyl(4-nitrophenyl)-
• CAS No.: 4405-33-8
• Molecular Formula: C9H13 N O2 Si
• Molecular Weight: 195.293
• Hs Code.: 2931900090
• DSSTox Substance ID: DTXSID50196028
• Nikkaji Number: J46.918A
• Wikidata: Q63408862
• Mol file: 4405-33-8.mol

Synonyms:4405-33-8;Silane, trimethyl(4-nitrophenyl)-;trimethyl-(4-nitrophenyl)silane;(4-Nitrophenyl)trimethylsilane;p-Nitrophenyltrimethylsilane;Silane,trimethyl(4-nitrophenyl)-;4-(Trimethylsilyl)-1-nitrobenzene;SCHEMBL4927395;DTXSID50196028;PARA-NITROPHENYLTRIMETHYLSILANE;TRIMETHYL(4-NITROPHENYL)SILANE;AKOS024338487;Q63408862

Chemical Property of Silane, trimethyl(4-nitrophenyl)-

Chemical Property:

• Vapor Pressure: 0.0226mmHg at 25°C
• Boiling Point: 258.1°C at 760 mmHg
• Flash Point: 109.9°C
• PSA: 45.82000
• Density: 1.04g/cm³
• LogP: 2.66320
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 195.071555192
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

(4-NITROPHENYL)TRIMETHYLSILANE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[Si](C)(C)C1=CC=C(C=C1)[N+](=O)[O-]

Technology Process of Silane, trimethyl(4-nitrophenyl)-

There total 15 articles about Silane, trimethyl(4-nitrophenyl)- 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: 76.0%

1,1,1,2,2,2-hexamethyldisilane (1450-14-2) + 4-chlorobenzonitrile (100-00-5) → 4-(trimethylsilyl)-1-nitrobenzene (4405-33-8)

Guidance literature:

With water; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In N,N-dimethyl-formamide; at 100 ℃; for 24h;

DOI:10.1021/ol701518f

Reference yield: 56.0%

1,4-bis-(trimethylsilyl)benzene (13183-70-5) → 4-(trimethylsilyl)-1-nitrobenzene (4405-33-8)

Guidance literature:

With nitric acid; at 80 - 100 ℃; Acidic conditions;

DOI:10.1039/d1cc06497e

Reference yield: 47.0%

sodium trimethylsilyldimethylsilanolate + para-nitrophenyl bromide (586-78-7) → 4-(trimethylsilyl)-1-nitrobenzene (4405-33-8)

Guidance literature:

With MePhos Pd G₄; In 1,2-dichloro-ethane; at 50 ℃;

DOI:10.1021/acscatal.1c02733

upstream raw materials:

1,4-bis-(trimethylsilyl)benzene

trimethylphenylsilane

1,1,1,2,2,2-hexamethyldisilane

4-nitro-benzoyl chloride

Downstream raw materials:

4-Fluoronitrobenzene

trimethylphenylsilane

N-<4-(trimethylsilyl)phenyl>acetamide

4-Nitro-1-benzol

Refernces

• 1、 Adekoya, Ibidolapo,Huber, Thomas,Mahawaththa, Mithun C.,Nitsche, Christoph,Orton, Henry W.,Otting, Gottfried. "Organoarsenic probes to study proteins by NMR spectroscopy". supporting information. p. 701 - 704. Retrieved 2022/01/25.
• 2、 Liu, Baomin,Gai, Kuo,Qin, Hui,Liu, Xushi,Cao, Yuan,Lu, Qin,Lu, Dandan,Chen, Deyang,Shen, Hengqiao,Song, Wei,Zhang, Yang,Wang, Xiaojin,Xu, Hongjiang,Zhang, Yinsheng. "Design, synthesis and identification of silicon-containing HCV NS5A inhibitors with pan-genotype activity". . p. 95 - 105. Retrieved 2018/02/20.