2,4,6-Triisopropylphenylacetic acid

Base Information

• Chemical Name: 2,4,6-Triisopropylphenylacetic acid
• CAS No.: 4276-85-1
• Molecular Formula: C17H26O2
• Molecular Weight: 262.38714
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID80441159
• Wikidata: Q82257787
• Mol file: 4276-85-1.mol

Synonyms:2,4,6-TRIISOPROPYLPHENYLACETIC ACID;4276-85-1;2-[2,4,6-tri(propan-2-yl)phenyl]acetic acid;SCHEMBL8137246;DTXSID80441159;GDFWAOXUDPFOLI-UHFFFAOYSA-N;2,4,6-Triisopropylbenzeneacetic Acid;2,4,6-triisopropylphenyl acetic acid;FT-0747087;2,4,6-tris(1-methylethyl)-phenyl acetic acid;E87486

Chemical Property of 2,4,6-Triisopropylphenylacetic acid

Chemical Property:

• Melting Point: 146-146.5 °C
• Boiling Point: 337.6±11.0 °C(Predicted)
• PKA: 4.37±0.10(Predicted)
• PSA: 37.30000
• Density: 0.982±0.06 g/cm3(Predicted)
• LogP: 4.68390
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 262.193280068
• Heavy Atom Count: 19
• Complexity: 276

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)CC(=O)O)C(C)C

Technology Process of 2,4,6-Triisopropylphenylacetic acid

There total 8 articles about 2,4,6-Triisopropylphenylacetic acid 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:

C23H35BO2 → 2-(2,4,6-triisopropylphenyl)acetic acid (4276-85-1)

Guidance literature:

With oxone||potassium monopersulfate triple salt; water; In acetone; at 50 ℃; for 12h; Inert atmosphere;

DOI:10.1002/anie.202000988

Reference yield:

2,4,6-triisopropylbenzyl cyanide (4276-84-0) → 2-(2,4,6-triisopropylphenyl)acetic acid (4276-85-1)

Guidance literature:

With potassium hydroxide; diethylene glycol;

DOI:10.1021/ja01234a037

Reference yield:

2,4,6-triisopropylbenzyl chloride (38580-86-8) → 2-(2,4,6-triisopropylphenyl)acetic acid (4276-85-1)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / 210 - 220 °C

2: potassium hydroxide; water containing diethylene glycol

With pyridine; potassium hydroxide; diethylene glycol;

DOI:10.1021/ja01234a037

upstream raw materials:

2,4,6-triisopropylbenzyl cyanide

water

2,4,6-triisopropylbenzoyl chloride

[2,4,6-tris(1-methylethyl)phenyl]methanol

Downstream raw materials:

avasimibe

2,4,6-triisopropylphenylacetyl chloride

(2,4,6-Triisopropylphenyl)-essigsaeure-(2,4,6-triisopropyl-benzylester)

2,4,6,2',4',6'-hexaisopropyl-bibenzyl

Refernces

• 1、 Lee, Helen T.,Sliskovic, Drago R.,Picard, Joseph A.,Roth, Bruce D.,Wierenga, Wendell,Hicks, James L.,Bousley, Richard F.,Hamelehle, Katherine L.,Homan, Reynold,Speyer, Cecilia,Stanfield, Richard L.,Krause, Brian R.. "Inhibitors of acyl-CoA:Cholesterol O-acyl transferase (ACAT) as hypocholesterolemic agents. CI-1011: An acyl sulfamate with unique cholesterol-lowering activity in animals fed noncholesterol-supplemented diets". . p. 5031 - 5034. Retrieved 2007/10/03.