2,3-Dihydroxypropyl 2-(4-Isobutylphenyl)propanoate

Base Information

• Chemical Name: 2,3-Dihydroxypropyl 2-(4-Isobutylphenyl)propanoate
• CAS No.: 64622-21-5
• Molecular Formula: C16H24O4
• Molecular Weight: 280.35900
• European Community (EC) Number: 641-452-4
• ChEMBL ID: CHEMBL2235850
• Nikkaji Number: J831.325C
• Mol file: 64622-21-5.mol

Synonyms:64622-21-5;2,3-Dihydroxypropyl 2-(4-Isobutylphenyl)propanoate;CHEMBL2235850;SCHEMBL15262350;2-(4-Isobutylphenyl)propionic acid 2,3-dihydroxypropyl ester;A937246;2,3-dihydroxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate

Chemical Property of 2,3-Dihydroxypropyl 2-(4-Isobutylphenyl)propanoate

Chemical Property:

• Boiling Point: 424.8±35.0 °C(Predicted)
• PKA: 13.13±0.20(Predicted)
• PSA: 66.76000
• Density: 1.103±0.06 g/cm3(Predicted)
• LogP: 1.88500
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly), DCM, Ethyl Acetate
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 280.16745924
• Heavy Atom Count: 20
• Complexity: 282

Purity/Quality:

99% ^*data from raw suppliers

IbuprofenRelatedCompound(2,3-Dihydroxypropyl2-(4-Isobutylphenyl)Propanoate) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC(CO)O
• Uses: Ibuprofen Related Compound is used for research purposes on Ibuprofen soft capsules for the investigation of unknown impurities.

Technology Process of 2,3-Dihydroxypropyl 2-(4-Isobutylphenyl)propanoate

There total 1 articles about 2,3-Dihydroxypropyl 2-(4-Isobutylphenyl)propanoate 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:

ibuprofen (15687-27-1,58560-75-1) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → 2,3-dihydroxypropyl 2-(4-isobutylphenyl)propanoate (64622-21-5)

Guidance literature:

With Candida antarctica lipase B; In toluene; at 80 ℃; Temperature; Kinetics; Enzymatic reaction;

DOI:10.1039/c6ra15480h

upstream raw materials:

ibuprofen

glycerol