((3,5-Dichloro-4-(3-isopropyl-4-methoxyphenoxy)phenyl)ethynyl)trimethylsilane

Base Information

• Chemical Name: ((3,5-Dichloro-4-(3-isopropyl-4-methoxyphenoxy)phenyl)ethynyl)trimethylsilane
• CAS No.: 525575-59-1
• Molecular Formula: C21H24Cl2O2Si
• Molecular Weight: 407.412
• DSSTox Substance ID: DTXSID40451092
• Wikidata: Q82270962
• Mol file: 525575-59-1.mol

Synonyms:525575-59-1;((3,5-Dichloro-4-(3-isopropyl-4-methoxyphenoxy)phenyl)ethynyl)trimethylsilane;((3,5-Dichloro-4-(3-isopropyl-4-methoxyphenoxy)-phenyl)ethynyl)trimethylsilane;2-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]ethynyl-trimethylsilane;DTXSID40451092;FT-0740999;({3,5-Dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}ethynyl)(trimethyl)silane

Chemical Property of ((3,5-Dichloro-4-(3-isopropyl-4-methoxyphenoxy)phenyl)ethynyl)trimethylsilane

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 431.445°C at 760 mmHg
• Flash Point: 177.816°C
• PSA: 18.46000
• Density: 1.166g/cm³
• LogP: 7.14660
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 406.0922619
• Heavy Atom Count: 26
• Complexity: 507

Purity/Quality:

98%Min ^*data from raw suppliers

((3,5-Dichloro-4-(3-isopropyl-4-methoxyphenoxy)-phenyl)ethynyl)trimethylsilane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)C#C[Si](C)(C)C)Cl)OC

Technology Process of ((3,5-Dichloro-4-(3-isopropyl-4-methoxyphenoxy)phenyl)ethynyl)trimethylsilane

There total 3 articles about ((3,5-Dichloro-4-(3-isopropyl-4-methoxyphenoxy)phenyl)ethynyl)trimethylsilane 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: 74.0%

trimethylsilylacetylene (1066-54-2) + 5-bromo-1,3-dichloro-2-(3-isopropyl-4-methoxyphenoxy)benzene (525575-58-0) → 3,5-dichloro-4-(4-hydroxy-3-isopropylphenoxy)phenyltrimethylsilylacetylene (525575-59-1)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl-formamide; at 100 ℃; for 4h;

DOI:10.1021/jm021080f

Reference yield:

4-bromo-2,6-dichloro-phenol (3217-15-0) → 3,5-dichloro-4-(4-hydroxy-3-isopropylphenoxy)phenyltrimethylsilylacetylene (525575-59-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / copper bronze; Et₃N / CH₂Cl₂ / 20 °C

2: 74 percent / PdCl₂(PPh₃)2; CuI; Et₃N / dimethylformamide / 4 h / 100 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; copper; triethylamine; In dichloromethane; N,N-dimethyl-formamide; 2: Sonagashira coupling;

DOI:10.1021/jm021080f

Reference yield:

bis(3-isopropyl-4-methoxyphenyl)iodonium tetrafluoroborate → 3,5-dichloro-4-(4-hydroxy-3-isopropylphenoxy)phenyltrimethylsilylacetylene (525575-59-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / copper bronze; Et₃N / CH₂Cl₂ / 20 °C

2: 74 percent / PdCl₂(PPh₃)2; CuI; Et₃N / dimethylformamide / 4 h / 100 °C

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; copper; triethylamine; In dichloromethane; N,N-dimethyl-formamide; 2: Sonagashira coupling;

DOI:10.1021/jm021080f

upstream raw materials:

trimethylsilylacetylene

5-bromo-1,3-dichloro-2-(3-isopropyl-4-methoxyphenoxy)benzene

4-bromo-2,6-dichloro-phenol

Downstream raw materials:

3,5-dichloro-4-(4-methoxy-3-isopropylphenoxy)phenylacetic acid

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