4-ethynylbenzyl 3,5-bis[3',4'-di(octan-1-yloxy)benzyloxy]benzoate

Base Information

• Chemical Name: 4-ethynylbenzyl 3,5-bis[3',4'-di(octan-1-yloxy)benzyloxy]benzoate
• CAS No.: 870719-33-8
• Molecular Formula: C₆₂H₈₈O₈
• Molecular Weight: 961.376
• Mol file: 870719-33-8.mol

Synonyms:4-ethynylbenzyl 3,5-bis[3',4'-di(octan-1-yloxy)benzyloxy]benzoate

Chemical Property of 4-ethynylbenzyl 3,5-bis[3',4'-di(octan-1-yloxy)benzyloxy]benzoate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-ethynylbenzyl 3,5-bis[3',4'-di(octan-1-yloxy)benzyloxy]benzoate

There total 10 articles about 4-ethynylbenzyl 3,5-bis[3',4'-di(octan-1-yloxy)benzyloxy]benzoate 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: 75.0%

3,5-bis[3',4'-di(octan-1-yloxy)benzyloxy]benzoic acid (870719-52-1) + (4-ethynylphenyl)methanol (10602-04-7) → 4-ethynylbenzyl 3,5-bis[3',4'-di(octan-1-yloxy)benzyloxy]benzoate (870719-33-8)

Guidance literature:

With dicyclohexyl-carbodiimide; 4-(dimethylamino)pyridinium tosylate; In dichloromethane; at 23 ℃; for 24h;

DOI:10.1021/ja055406w

Reference yield:

3,4-bis(octyloxy)benzyl alcohol (604785-49-1) → 4-ethynylbenzyl 3,5-bis[3',4'-di(octan-1-yloxy)benzyloxy]benzoate (870719-33-8)

Guidance literature:

Multi-step reaction with 4 steps

1: 3.81 g / SOCl₂ / CH₂Cl₂ / 0 - 20 °C

2: 61 percent / K₂CO₃ / dimethylformamide / 18 h / 80 °C

3: 90 percent / aq. NaOH / ethanol; tetrahydrofuran / 15 h / Heating

4: 75 percent / N,N'-dicyclohexylcarbodiimide; 4-(N,N-dimethylamino)pyridinium tosylate / CH₂Cl₂ / 24 h / 23 °C

With sodium hydroxide; thionyl chloride; potassium carbonate; dicyclohexyl-carbodiimide; 4-(dimethylamino)pyridinium tosylate; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/ja055406w

Reference yield:

3,4-bis(octan-1-yloxy)benzyl chloride (870719-43-0) → 4-ethynylbenzyl 3,5-bis[3',4'-di(octan-1-yloxy)benzyloxy]benzoate (870719-33-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 61 percent / K₂CO₃ / dimethylformamide / 18 h / 80 °C

2: 90 percent / aq. NaOH / ethanol; tetrahydrofuran / 15 h / Heating

3: 75 percent / N,N'-dicyclohexylcarbodiimide; 4-(N,N-dimethylamino)pyridinium tosylate / CH₂Cl₂ / 24 h / 23 °C

With sodium hydroxide; potassium carbonate; dicyclohexyl-carbodiimide; 4-(dimethylamino)pyridinium tosylate; In tetrahydrofuran; ethanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/ja055406w

upstream raw materials:

3,5-bis[3',4'-di(octan-1-yloxy)benzyloxy]benzoic acid

(4-ethynylphenyl)methanol

3,4-bis(octyloxy)benzyl alcohol

3,4-bis(octan-1-yloxy)benzyl chloride