4-[S-(4-hydroxybut-2-ynyl)thiomethyl]benzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester

Base Information

• Chemical Name: 4-[S-(4-hydroxybut-2-ynyl)thiomethyl]benzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester
• CAS No.: 288143-62-4
• Molecular Formula: C₂₃H₃₂O₈S
• Molecular Weight: 468.568
• Mol file: 288143-62-4.mol

Synonyms:4-[S-(4-hydroxybut-2-ynyl)thiomethyl]benzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester

Chemical Property of 4-[S-(4-hydroxybut-2-ynyl)thiomethyl]benzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4-[S-(4-hydroxybut-2-ynyl)thiomethyl]benzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester

There total 3 articles about 4-[S-(4-hydroxybut-2-ynyl)thiomethyl]benzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester 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:

4-mercapto-but-2-yn-1-ol + 4-chloromethylbenzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester (288143-57-7) → 4-[S-(4-hydroxybut-2-ynyl)thiomethyl]benzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester (288143-62-4)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In ethanol; at 20 ℃; for 22h;

DOI:10.1006/bioo.1999.1167

Reference yield:

p-(chloromethyl)benzoyl chloride (876-08-4) → 4-[S-(4-hydroxybut-2-ynyl)thiomethyl]benzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester (288143-62-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / molecular sieves 4 Angstroem; TMEDA / CH₂Cl₂ / 24.58 h / -78 - 20 °C

2: 75.5 mg / Huenig's base / ethanol / 22 h / 20 °C

With N,N,N,N,-tetramethylethylenediamine; 4 A molecular sieve; N-ethyl-N,N-diisopropylamine; In ethanol; dichloromethane; 1: Esterification / 2: Substitution;

DOI:10.1006/bioo.1999.1167

Reference yield:

2-(hydroxymethyl)-15-crown-5 (75507-25-4,80004-03-1) → 4-[S-(4-hydroxybut-2-ynyl)thiomethyl]benzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester (288143-62-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 80 percent / molecular sieves 4 Angstroem; TMEDA / CH₂Cl₂ / 24.58 h / -78 - 20 °C

2: 75.5 mg / Huenig's base / ethanol / 22 h / 20 °C

With N,N,N,N,-tetramethylethylenediamine; 4 A molecular sieve; N-ethyl-N,N-diisopropylamine; In ethanol; dichloromethane; 1: Esterification / 2: Substitution;

DOI:10.1006/bioo.1999.1167

upstream raw materials:

4-chloromethylbenzoic acid 1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl ester

p-(chloromethyl)benzoyl chloride

2-(hydroxymethyl)-15-crown-5