Benzoic acid, 3,5-dichloro-4-(triethylsilyl)-

Base Information

• Chemical Name: Benzoic acid, 3,5-dichloro-4-(triethylsilyl)-
• CAS No.: 650598-41-7
• Molecular Formula: C13H18Cl2O2Si
• Molecular Weight: 305.276
• DSSTox Substance ID: DTXSID50462437
• Nikkaji Number: J2.011.061I
• Wikidata: Q82286978
• Mol file: 650598-41-7.mol

Synonyms:Benzoic acid, 3,5-dichloro-4-(triethylsilyl)-;650598-41-7;DTXSID50462437;AKOS024264375

Chemical Property of Benzoic acid, 3,5-dichloro-4-(triethylsilyl)-

Chemical Property:

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 304.0453117
• Heavy Atom Count: 18
• Complexity: 275

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC[Si](CC)(CC)C1=C(C=C(C=C1Cl)C(=O)O)Cl

Technology Process of Benzoic acid, 3,5-dichloro-4-(triethylsilyl)-

There total 5 articles about Benzoic acid, 3,5-dichloro-4-(triethylsilyl)- 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: 91.0%

carbon dioxide (124-38-9,18923-20-1) + (2,6-dichlorophenyl)triethylsilane (650598-44-0) → 3,5-dichloro-4-(triethylsilyl)benzoic acid (650598-41-7)

Guidance literature:

With [(trimethylsilyl)methyl]potassium; In tetrahydrofuran; at -100 ℃;

DOI:10.1002/ejoc.200500553

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + (2,6-dichlorophenyl)triethylsilane (650598-44-0) → 2,4-dichloro-3-(triethylsilyl)benzoic acid (650598-47-3) + 3,5-dichloro-4-(triethylsilyl)benzoic acid (650598-41-7)

Guidance literature:

With 2,2,6,6-tetramethylpiperidinyl-lithium; In tetrahydrofuran; at -100 ℃;

DOI:10.1002/ejoc.200500553

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + (2,6-dichlorophenyl)triethylsilane (650598-44-0) → 3-chloro-2-(triethylsilyl)benzoic acid + 3,5-dichloro-4-(triethylsilyl)benzoic acid (650598-41-7)

Guidance literature:

With N,N,N',N'',N'''-pentamethyldiethylenetriamine; LiCH(CH₃(C₂H₅; In diethyl ether; at -100 ℃;

DOI:10.1002/ejoc.200500553

upstream raw materials:

carbon dioxide

(2,6-dichlorophenyl)triethylsilane

triethylsilyl chloride

1,3-Dichlorobenzene

Downstream raw materials:

3,5-dichlorobenzoic acid