1,3,5-Benzenetripropanoic acid

Base Information

• Chemical Name: 1,3,5-Benzenetripropanoic acid
• CAS No.: 18226-49-8
• Molecular Formula: C15H18O6
• Molecular Weight: 294.304
• DSSTox Substance ID: DTXSID60450608
• Wikidata: Q82270397
• Mol file: 18226-49-8.mol

Synonyms:1,3,5-Benzenetripropanoic acid;18226-49-8;SCHEMBL5670212;DTXSID60450608

Chemical Property of 1,3,5-Benzenetripropanoic acid

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 294.11033829
• Heavy Atom Count: 21
• Complexity: 309

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1CCC(=O)O)CCC(=O)O)CCC(=O)O

Technology Process of 1,3,5-Benzenetripropanoic acid

There total 15 articles about 1,3,5-Benzenetripropanoic 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: 84.0%

1,3,5-tris(2-carbomethoxyethyl)benzene (41009-90-9) → TAB002 (18226-49-8)

Guidance literature:

With sodium hydroxide; In methanol;

DOI:10.1080/00304949709355214

Reference yield: 36.0%

4-pentynoic acid (6089-09-4) → TAB002 (18226-49-8) + benzene-1,2,4-tripropionic acid

Guidance literature:

With (((3-hydroxypropyl)carbonylcyclopentadienyl)cobalt)-η⁴-cyclooctadiene; In methanol; water;

DOI:10.1021/ja9807284

Reference yield:

1,3,5-trisbromobenzene (626-39-1) → TAB002 (18226-49-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 63 percent / Pd(OAc)2, tri-(o-tolyl)phosphine, Et₃N / acetonitrile / 5 h / Heating

2: 85 percent / H₂ / 5percent Pd/C / tetrahydrofuran / 1 h / 40 - 50 °C / 2585.7 Torr

3: 84 percent / aq. NaOH / methanol

With palladium diacetate; sodium hydroxide; hydrogen; triethylamine; tris-(o-tolyl)phosphine; palladium on activated charcoal; In tetrahydrofuran; methanol; acetonitrile;

DOI:10.1080/00304949709355214

upstream raw materials:

1.3.5-Tris-(β-cyanethyl)-benzol

benzene-1,3,5-triacrylic acid

1,3,5-tris(2-carbomethoxyethyl)benzene

4-pentynoic acid

Downstream raw materials:

1,3,5-tris(2-carbomethoxyethyl)benzene

1,3,5-tris(3-hydroxypropyl)benzene

1,3,5-tris(2'-chloroformylethyl)benzene

1,3,5-tris(3'-bromopropyl)benzene