Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 4-methylbenzenesulfonate (ester)

Base Information

• Chemical Name: Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 4-methylbenzenesulfonate (ester)
• CAS No.: 202189-76-2
• Molecular Formula: C23H29NO4S
• Molecular Weight: 415.55
• Mol file: 202189-76-2.mol

Synonyms:2-[4-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propan-2-yl]phenyl]ethyl 4-methylbenzenesulfonate

Chemical Property of Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 4-methylbenzenesulfonate (ester)

Chemical Property:

• Vapor Pressure: 2.19E-11mmHg at 25°C
• Boiling Point: 545.1°C at 760 mmHg
• PKA: 5.78±0.70(Predicted)
• Flash Point: 283.5°C
• PSA: 73.34000
• Density: 1.14g/cm³
• LogP: 4.94430
• Storage Temp.: 2-8°C
• Water Solubility.: 5.717μg/L at 25℃

Purity/Quality:

99%, ^*data from raw suppliers

4-(2-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)propan-2-yl)phenethyl4-methylbenzenesulfonate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 4-methylbenzenesulfonate (ester)

There total 4 articles about Benzeneethanol, 4-[1-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]-, 4-methylbenzenesulfonate (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: 90.0%

2-{1-[4-(2-hydroxyethyl)phenyl]-1-methylethyl}-4,5-2H-4,4-dimethyl-oxazole (361382-26-5) + p-toluenesulfonyl chloride (98-59-9) → 2-{4-[1-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)-1-methylethyl]phenyl}ethyl p-toluenesulfonate (202189-76-2)

Guidance literature:

With tetrabutylammomium bromide; sodium hydroxide; In water; at 5 ℃; Reagent/catalyst;

Reference yield:

(4-bromo-phenyl)-acetic acid methyl ester (41841-16-1) → 2-{4-[1-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)-1-methylethyl]phenyl}ethyl p-toluenesulfonate (202189-76-2)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydride

2: thionyl chloride

3: n-butyllithium

With n-butyllithium; thionyl chloride; sodium hydride;

DOI:10.2174/1570178615666180402123643

Reference yield:

oxirane (75-21-8,99932-75-9) + 4-bromo-α,α-dimethyl-α-(4,4-dimethyloxazolin-2-yl) toluene (192775-97-6) + p-toluenesulfonyl chloride (98-59-9) → 2-{4-[1-(4,4-dimethyl-4,5-dihydrooxazol-2-yl)-1-methylethyl]phenyl}ethyl p-toluenesulfonate (202189-76-2)

Guidance literature:

With n-butyllithium;

DOI:10.2174/1570178615666180402123643

upstream raw materials:

oxirane

4-bromo-α,α-dimethyl-α-(4,4-dimethyloxazolin-2-yl) toluene

p-toluenesulfonyl chloride

(4-bromo-phenyl)-acetic acid methyl ester

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