2,2',2''-[Benzene-1,2,3-triyltris(oxy)]triacetic acid

Base Information

• Chemical Name: 2,2',2''-[Benzene-1,2,3-triyltris(oxy)]triacetic acid
• CAS No.: 49629-98-3
• Molecular Formula: C12H12O9
• Molecular Weight: 300.222
• DSSTox Substance ID: DTXSID20573928
• Nikkaji Number: J3.159.692K
• Wikidata: Q82462781
• Mol file: 49629-98-3.mol

Synonyms:49629-98-3;tris(carboxymethoxy)benzene;SCHEMBL1145948;2,2',2''-[Benzene-1,2,3-triyltris(oxy)]triacetic acid;DTXSID20573928

Chemical Property of 2,2',2''-[Benzene-1,2,3-triyltris(oxy)]triacetic acid

Chemical Property:

• XLogP3: 0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 9
• Exact Mass: 300.04813196
• Heavy Atom Count: 21
• Complexity: 355

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2',2''-[Benzene-1,2,3-triyltris(oxy)]triacetic acid

There total 1 articles about 2,2',2''-[Benzene-1,2,3-triyltris(oxy)]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: 83.0%

chloroacetic acid (79-11-8) + 2-hydroxyresorcinol (87-66-1) → 2-[2,3-bis(carboxymethoxy)phenoxy]acetic acid (49629-98-3)

Guidance literature:

With sodium hydroxide; In water; at 95 - 100 ℃; for 0.166667h; Microwave irradiation; Sonication; Green chemistry;

DOI:10.3390/molecules23092360

Reference yield: 40.0%

cadmium(II) sulfate*8/3H2O + 2-[2,3-bis(carboxymethoxy)phenoxy]acetic acid (49629-98-3) + water (7732-18-5) → Cd3(benzene-1,2,3-triyldioxy-triacetato)2(H2O)3*H2O

Guidance literature:

With ammonium hydroxide; at 120 ℃; for 72h; pH=5.8; Autoclave;

DOI:10.1021/cg301331p

Reference yield: 40.0%

zinc(II) sulfate heptahydrate + N1,N4-di(pyridin-4-yl)terephthalamide (216079-39-9) + 2-[2,3-bis(carboxymethoxy)phenoxy]acetic acid (49629-98-3) + water (7732-18-5) → Zn(benzene-1,2,3-triyldioxy-triacetato)(N,N'-bis(4-pyridyl)phthalamide)0.5*H(N,N'-bis(4-pyridyl)phthalamide)

Guidance literature:

With ammonium hydroxide; at 120 ℃; for 72h; pH=5.8; Autoclave;

DOI:10.1021/cg301331p

upstream raw materials:

chloroacetic acid

2-hydroxyresorcinol

Refernces