Ethyl 2,4,6-triisopropylbenzoate

Base Information

• Chemical Name: Ethyl 2,4,6-triisopropylbenzoate
• CAS No.: 63846-76-4
• Molecular Formula: C18H28O2
• Molecular Weight: 276.419
• European Community (EC) Number: 872-261-6
• DSSTox Substance ID: DTXSID70426738
• Wikidata: Q82239562

Synonyms:ethyl 2,4,6-triisopropylbenzoate;63846-76-4;ethyl 2,4,6-tri(propan-2-yl)benzoate;SCHEMBL11888446;DTXSID70426738;MFCD03788745;BS-17341;2,4,6-triisopropyl-benzoic acid ethyl ester;CS-0151831;D70260

Chemical Property of Ethyl 2,4,6-triisopropylbenzoate

Chemical Property:

• Vapor Pressure: 3.8E-05mmHg at 25°C
• Refractive Index: 1.4900
• Boiling Point: 352.6 °C at 760 mmHg
• Flash Point: 137.8 °C
• Density: 0.94 g/cm³
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 276.208930132
• Heavy Atom Count: 20
• Complexity: 289

Purity/Quality:

99% ^*data from raw suppliers

ETHYL-2,4,6-TRIISOPROPYLBENZOATE 99.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C

Technology Process of Ethyl 2,4,6-triisopropylbenzoate

There total 8 articles about Ethyl 2,4,6-triisopropylbenzoate 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: 97.0%

2,4,6-triisopropylbenzoic acid (49623-71-4) + Triethyl orthoacetate (78-39-7) → ethyl 2,4,6-tri-isopropylbenzoate (63846-76-4)

Guidance literature:

With 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate; at 80 ℃; for 3h;

DOI:10.1055/s-2004-829058

Reference yield: 95.0%

ethyl bromide (74-96-4) + 2,4,6-triisopropylbenzoic acid (49623-71-4) → ethyl 2,4,6-tri-isopropylbenzoate (63846-76-4)

Guidance literature:

With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide; In chloroform; water; at 20 ℃;

DOI:10.1002/chem.202000599

Reference yield: 94.0%

ethanol (64-17-5) + 2,4,6-triisopropylbenzoic acid (49623-71-4) → ethyl 2,4,6-tri-isopropylbenzoate (63846-76-4)

Guidance literature:

With sulfuric acid; In toluene; for 24h; Reflux;

DOI:10.1016/j.tetlet.2008.09.064

upstream raw materials:

ethyl bromide

2,4,6-triisopropylbenzoic acid

ethanol

2,4,6-triisopropylbenzoyl chloride

Downstream raw materials:

α-Trimethylsilylethyl-2,4,6-triisopropylbenzoat

C₂₁H₂₈⁽²⁾H₆O₃

α-(1-Hydroxycyclohexyl)-ethyl-2,4,6-triisopropylbenzoat

2-methyl-2,3-butanediol

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