2,6-Diisopropylbenzoic acid

Base Information

• Chemical Name: 2,6-Diisopropylbenzoic acid
• CAS No.: 92035-95-5
• Molecular Formula: C13H18O2
• Molecular Weight: 206.285
• DSSTox Substance ID: DTXSID70474759
• Nikkaji Number: J779.952G
• Wikidata: Q82304883
• Mol file: 92035-95-5.mol

Synonyms:2,6-diisopropylbenzoic acid;92035-95-5;2,6-di(propan-2-yl)benzoic acid;MFCD09965980;Benzoic acid, 2,6-bis(1-methylethyl)-;2,6-diisopropylbenzoicacid;2, 6-diisopropylbenzoic acid;SCHEMBL6637397;DTXSID70474759;AGBGSHYCQQNNEH-UHFFFAOYSA-N;2,6-bis(propan-2-yl)benzoic acid;GEO-03256;GS2868;2,6-bis-(1-methylethyl)benzoic acid;BS-18246;SY273302;CS-0154314;FT-0667191;D82997;2,6-Diisopropylbenzoic Acid;Propofol Imp. M (Pharmeuropa);Dimetindene Maleate Imp. B (EP);Dimetindene Imp. B (EP);Propofol Impurity M

Chemical Property of 2,6-Diisopropylbenzoic acid

Chemical Property:

• Boiling Point: 294.5±29.0 °C(Predicted)
• PKA: 3.08±0.10(Predicted)
• PSA: 37.30000
• Density: 1.020±0.06 g/cm3(Predicted)
• LogP: 3.63160
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 206.130679813
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

95% ^*data from raw suppliers

2,6-DiisopropylbenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)C(=O)O
• Uses: 2,6-Diisopropylbenzoic acid is used in the synthesis of a series of zipper complexes.

Technology Process of 2,6-Diisopropylbenzoic acid

There total 6 articles about 2,6-Diisopropylbenzoic 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: 81.0%

carbon dioxide (124-38-9,18923-20-1) + 2-iodo-1,3-diisopropylbenzene (163704-47-0) → 2,6-bis-(1-methylethyl)benzoic acid (92035-95-5)

Guidance literature:

2-iodo-1,3-diisopropylbenzene; With n-butyllithium;

carbon dioxide; Further stages.;

DOI:10.1039/b304041k

Reference yield: 71.3%

carbon dioxide (124-38-9,18923-20-1) + 2-bromo-1,3-diisopropylbenzene (57190-17-7) → 2,6-bis-(1-methylethyl)benzoic acid (92035-95-5)

Guidance literature:

2-bromo-1,3-diisopropylbenzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 1h; Inert atmosphere;

carbon dioxide; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1055/a-1384-0159

Reference yield:

2-bromo-1,3-diisopropylbenzene (57190-17-7) → 2,6-bis-(1-methylethyl)benzoic acid (92035-95-5)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

carbon dioxide

2-bromo-1,3-diisopropylbenzene

2-iodo-1,3-diisopropylbenzene

2,6-diisopropylbenzenamine

Downstream raw materials:

2,6-diisopropylbenzoyl chloride

2,6-Diisopropylbenzoesaeuremethylester

2.6-Diisopropyl-benzylchlorid

2,6-diisopropylbenzyl alcohol