Trimethyl 2,2',2''-[benzene-1,2,3-triyltris(oxy)]triacetate

Base Information

• Chemical Name: Trimethyl 2,2',2''-[benzene-1,2,3-triyltris(oxy)]triacetate
• CAS No.: 209909-16-0
• Molecular Formula: C15H18O9
• Molecular Weight: 342.303
• DSSTox Substance ID: DTXSID90572428
• Nikkaji Number: J975.340K
• Wikidata: Q82460789
• Mol file: 209909-16-0.mol

Synonyms:209909-16-0;DTXSID90572428;tris(methoxycarbonylmethoxy)benzene;Trimethyl 2,2',2''-[benzene-1,2,3-triyltris(oxy)]triacetate

Chemical Property of Trimethyl 2,2',2''-[benzene-1,2,3-triyltris(oxy)]triacetate

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 342.09508215
• Heavy Atom Count: 24
• Complexity: 395

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)COC1=C(C(=CC=C1)OCC(=O)OC)OCC(=O)OC

Technology Process of Trimethyl 2,2',2''-[benzene-1,2,3-triyltris(oxy)]triacetate

There total 1 articles about Trimethyl 2,2',2''-[benzene-1,2,3-triyltris(oxy)]triacetate 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: 92.0%

bromoacetic acid methyl ester (96-32-2) + 2-hydroxyresorcinol (87-66-1) → 1,2,3-tris(methoxycarbonylmethoxy)benzene (209909-16-0)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃; for 72h;

DOI:10.1016/j.tet.2004.05.012

Reference yield: 80.0%

1,2,3-tris(methoxycarbonylmethoxy)benzene (209909-16-0) → 1,2,3-tris(carboxymethoxy)benzene tripotassium salt

Guidance literature:

With potassium hydroxide; In ethanol; for 12h; Reflux;

DOI:10.1007/s11172-009-0012-8

Reference yield: 38.0%

3,6-dioxa-1,8-diaminooctane (929-59-9,892154-56-2) + 1,2,3-tris(methoxycarbonylmethoxy)benzene (209909-16-0) → (7,18-dioxo-7,8,9,10,12,13,16,17,18,19-decahydro-6H,15H-5,11,14,20-tetraoxa-8,17-diaza-benzocyclooctadecen-1-yloxy)-acetic acid methyl ester (393841-43-5) + (2-{[2-(2-{2-[2-(2,3-bis-methoxycarbonylmethoxy-phenoxy)-acetylamino]-ethoxy}-ethoxy)-ethylcarbamoyl]-methoxy}-6-methoxycarbonylmethoxy-phenoxy)-acetic acid methyl ester

Guidance literature:

In methanol; at 20 ℃; for 168h;

DOI:10.1016/j.tet.2004.05.012

upstream raw materials:

bromoacetic acid methyl ester

2-hydroxyresorcinol

Downstream raw materials:

(7,18-dioxo-7,8,9,10,12,13,16,17,18,19-decahydro-6H,15H-5,11,14,20-tetraoxa-8,17-diaza-benzocyclooctadecen-1-yloxy)-acetic acid methyl ester

[17-benzoyl-4-(2-hydroxy-ethoxy)-6,7,9,10,12,13,16,17,18,19-decahydro-15H-5,11,14,20-tetraoxa-8,17-diaza-benzocyclooctadecen-8-yl]-phenyl-methanone

[4-(2-allyloxy-ethoxy)-17-benzoyl-6,7,9,10,12,13,16,17,18,19-decahydro-15H-5,11,14,20-tetraoxa-8,17-diaza-benzocyclooctadecen-8-yl]-phenyl-methanone