Benzoic acid, 4,4'-[1,6-hexanediylbis(oxy)]bis[3-methoxy-

Base Information

• Chemical Name: Benzoic acid, 4,4'-[1,6-hexanediylbis(oxy)]bis[3-methoxy-
• CAS No.: 145325-41-3
• Molecular Formula: C22H26O8
• Molecular Weight: 418.444
• DSSTox Substance ID: DTXSID401197608
• Mol file: 145325-41-3.mol

Synonyms:DTXSID401197608;145325-41-3

Chemical Property of Benzoic acid, 4,4'-[1,6-hexanediylbis(oxy)]bis[3-methoxy-

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 418.16276778
• Heavy Atom Count: 30
• Complexity: 479

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(=O)O)OCCCCCCOC2=C(C=C(C=C2)C(=O)O)OC

Technology Process of Benzoic acid, 4,4'-[1,6-hexanediylbis(oxy)]bis[3-methoxy-

There total 2 articles about Benzoic acid, 4,4'-[1,6-hexanediylbis(oxy)]bis[3-methoxy- 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: 60.0%

1,6-diiodohexane (629-09-4) + 3-methoxy-4-hydroxybenzoic acid (121-34-6) → 1',6'-bis(4-carboxy-2-methoxyphenoxy)hexane (145325-41-3)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; for 48h; Heating;

DOI:10.1021/jo951631s

Reference yield:

1 ,6-dibromohexane (629-03-8) + 3-methoxy-4-hydroxybenzoic acid (121-34-6) → 1',6'-bis(4-carboxy-2-methoxyphenoxy)hexane (145325-41-3)

Guidance literature:

Reference yield:

1',6'-bis(4-carboxy-2-methoxyphenoxy)hexane (145325-41-3) → 1',6'-bis<2-methoxy-(4-methoxycarbonyl)-5-nitrophenoxy>hexane (145325-46-8)

Guidance literature:

Multi-step reaction with 2 steps

1: K₂CO₃ / acetone / 0.5 h / Heating

2: SnCl₄, HNO₃ / CH₂Cl₂ / 0.25 h / -20 °C

With nitric acid; tin(IV) chloride; potassium carbonate; In dichloromethane; acetone;

DOI:10.1039/c39920001518

upstream raw materials:

1 ,6-dibromohexane

3-methoxy-4-hydroxybenzoic acid

1,6-diiodohexane

Downstream raw materials:

1',6'-bis<2-methoxy-(4-methoxycarbonyl)phenoxy>hexane

1',6'-bis(4-carboxy-2-methoxy-5-nitrophenoxy)hexane

1',6'-bis<2-methoxy-(4-methoxycarbonyl)-5-nitrophenoxy>hexane

1,1'-<<(hexane-1,6-diyl)dioxy>bis<(2-amino-5-methoxy-1,4-phenylene)carbonyl>>bis