2,2',2''-(2,4,6-Triethylbenzene-1,3,5-triyl)triacetic acid

Base Information

• Chemical Name: 2,2',2''-(2,4,6-Triethylbenzene-1,3,5-triyl)triacetic acid
• CAS No.: 220759-05-7
• Molecular Formula: C18H24O6
• Molecular Weight: 336.385
• DSSTox Substance ID: DTXSID30578863
• Nikkaji Number: J1.069.451E
• Wikidata: Q82469195
• Mol file: 220759-05-7.mol

Synonyms:220759-05-7;DTXSID30578863;2,2',2''-(2,4,6-Triethylbenzene-1,3,5-triyl)triacetic acid;AKOS015966083

Chemical Property of 2,2',2''-(2,4,6-Triethylbenzene-1,3,5-triyl)triacetic acid

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 336.15728848
• Heavy Atom Count: 24
• Complexity: 376

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=C(C(=C1CC(=O)O)CC)CC(=O)O)CC)CC(=O)O

Technology Process of 2,2',2''-(2,4,6-Triethylbenzene-1,3,5-triyl)triacetic acid

There total 4 articles about 2,2',2''-(2,4,6-Triethylbenzene-1,3,5-triyl)triacetic 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: 98.0%

1,3,5-tris(cyanomethyl)-2,4,6-triethylbenzene (181058-09-3) → 1,3,5-triethyl-2,4,6-tris(carboxymethyl)benzene (220759-05-7)

Guidance literature:

With sulfuric acid; water; acetic acid; for 22h; Reflux;

DOI:10.5012/bkcs.2010.31.03.724

Reference yield:

1,3,5-triethylbenzene (102-25-0) → 1,3,5-triethyl-2,4,6-tris(carboxymethyl)benzene (220759-05-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 42 percent / HBr; ZnBr₂

2: 95 percent / ethanol; H₂O

3: 72 percent / aq. H₂SO₄

With sulfuric acid; hydrogen bromide; zinc dibromide; In ethanol; water;

DOI:10.1246/cl.2002.1166

Reference yield:

1,3,5-tris(bromomethyl)-2,4,6-triethylbenzene (181058-08-2) → 1,3,5-triethyl-2,4,6-tris(carboxymethyl)benzene (220759-05-7)

Guidance literature:

Multi-step reaction with 2 steps

1: N / dimethylformamide

2: 92 percent / conc. HCl; glacial AcOH / Heating

With hydrogenchloride; acetic acid; In N,N-dimethyl-formamide;

DOI:10.1021/ja011651d

upstream raw materials:

1,3,5-tris(cyanomethyl)-2,4,6-triethylbenzene

1,3,5-triethylbenzene

2,4,6-triethylbenzene-1,3,5-tricarbaldehyde

1,3,5-tris(bromomethyl)-2,4,6-triethylbenzene

Downstream raw materials:

C₂₁H₃₀O₆

(S,S,S)-2-{[3,5-bis({4-[3-(tert-butyl(dimethyl)silanyloxy)phenyl]-4,5-dihydrooxazol-2-yl}methyl)-2,4,6-triethyl]phenyl}methyl-4-[3-(tert-butyl(dimethyl)silanyloxy)phenyl]-4,5-dihydrooxazole

C₅₇H₇₅N₃O₉

2-[3,5-bis[(4,6-dimethylpyridin-2-ylcarbamoyl)methyl]-2,4,6-triethylphenyl]-N-(4,6-dimethylpyridin-2-yl)acetamide

Refernces

• 1、 Kim, Sung-Gon,Sambasivan, Sunderraman,Ann, Kyo Han. "Chiral discrimination of α-chiral ammonium ions by sterically geared chiral tripodal oxazolines". experimental part. p. 724 - 726. Retrieved 2010/08/07.
• 2、 Sather, Aaron C.,Berryman, Orion B.,Rebek Jr., Julius. "Selective recognition and extraction of the uranyl ion". supporting information; experimental part. p. 13572 - 13574. Retrieved 2010/12/18.