Benzoic acid, 4,4',4''-(1,9,17-trioxa-5,13,21-triazacyclotetracosane-5,13,21-triyltricarb onyl)tris-, trimethyl ester

Base Information

• Chemical Name: Benzoic acid, 4,4',4''-(1,9,17-trioxa-5,13,21-triazacyclotetracosane-5,13,21-triyltricarb onyl)tris-, trimethyl ester
• CAS No.: 116073-81-5
• Molecular Formula: C₄₅H₅₇N₃O₁₂
• Molecular Weight: 831.96
• Mol file: 116073-81-5.mol

Synonyms:

Chemical Property of Benzoic acid, 4,4',4''-(1,9,17-trioxa-5,13,21-triazacyclotetracosane-5,13,21-triyltricarb onyl)tris-, trimethyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Benzoic acid, 4,4',4''-(1,9,17-trioxa-5,13,21-triazacyclotetracosane-5,13,21-triyltricarb onyl)tris-, trimethyl ester

There total 12 articles about Benzoic acid, 4,4',4''-(1,9,17-trioxa-5,13,21-triazacyclotetracosane-5,13,21-triyltricarb onyl)tris-, trimethyl ester 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: 87.0%

4-Methoxycarbonylbenzoyl chloride (7377-26-6) + 1,9,17-trioxa-5,13,21-triazacyclotetracosane tris-hydrochloride (116073-96-2) → C45H57N3O12 (116073-81-5)

Guidance literature:

In tetrahydrofuran;

Reference yield:

2-cyanoethyl ether (1656-48-0) → C45H57N3O12 (116073-81-5)

Guidance literature:

Multi-step reaction with 6 steps

1: 6M hydrochlorid acid / H₂O / 2 h / Heating

2: thionyl chloride / 3 h / Heating

3: 27 percent / Et₃N / CH₂Cl₂; toluene / 24 h / Ambient temperature

4: 96 percent / borane-THF complex / tetrahydrofuran / 2 h / Heating

5: 46 percent / 1.) lithium aluminium hydride, 2.) HCl / tetrahydrofuran / 36 h / Heating

6: 87 percent / tetrahydrofuran

With hydrogenchloride; lithium aluminium tetrahydride; thionyl chloride; borane-THF; triethylamine; In tetrahydrofuran; dichloromethane; water; toluene;

Reference yield:

3,3'-Iminodipropionitrile (111-94-4) → C45H57N3O12 (116073-81-5)

Guidance literature:

Multi-step reaction with 9 steps

1: 89 percent / pyridine / 10 deg C, 30 min, RT, 4 h

2: 95 percent / hydrochlorid acid / H₂O / 2 h / Heating

3: 91 percent / sodium borohydride, borontrifluoride diethylether / tetrahydrofuran / 2 h / Ambient temperature

4: 1.) sodium hydride / 1.) THF, RT, 10 min, 2.) 4.5 h

5: 1.) lithium aluminium hydride, sulphuric acid / 1.) THF, 0 deg C, 2.) THF, RT, 3 h

6: 27 percent / Et₃N / CH₂Cl₂; toluene / 24 h / Ambient temperature

7: 96 percent / borane-THF complex / tetrahydrofuran / 2 h / Heating

8: 46 percent / 1.) lithium aluminium hydride, 2.) HCl / tetrahydrofuran / 36 h / Heating

9: 87 percent / tetrahydrofuran

With pyridine; hydrogenchloride; sodium tetrahydroborate; lithium aluminium tetrahydride; borane-THF; sulfuric acid; boron trifluoride diethyl etherate; sodium hydride; triethylamine; In tetrahydrofuran; dichloromethane; water; toluene;

upstream raw materials:

4-Methoxycarbonylbenzoyl chloride

1,9,17-trioxa-5,13,21-triazacyclotetracosane tris-hydrochloride

2-cyanoethyl ether

3,3'-Iminodipropionitrile

Downstream raw materials:

C₄₂H₄₈Cl₃N₃O₉

5,13,21-tris(4-carboxybenzoyl)-1,9,17-trioxa-5,13,21-triazacyclotetracosane

Refernces