2-{4,7-bis-tert-butoxycarbonylmethyl-[1,4,7] triazocyclononan-1-yl}acetic acid

Base Information

• Chemical Name: 2-{4,7-bis-tert-butoxycarbonylmethyl-[1,4,7] triazocyclononan-1-yl}acetic acid
• CAS No.: 1161415-28-6
• Molecular Formula: C₂₀H₃₇N₃O₆
• Molecular Weight: 415.53

Synonyms:2-{4,7-bis-tert-butoxycarbonylmethyl-[1,4,7] triazocyclononan-1-yl}acetic acid

Chemical Property of 2-{4,7-bis-tert-butoxycarbonylmethyl-[1,4,7] triazocyclononan-1-yl}acetic acid

Chemical Property:

• Boiling Point: 519.9±50.0 °C(Predicted)
• Density: 1.095±0.06 g/cm3(Predicted)

Purity/Quality:

>98% ^*data from raw suppliers

NOTA-bis(t-Buester) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Description: 2-(4,7-Bis(2-(tert-butoxy)-2-oxoethyl)-1,4,7-triazonan-1-yl)acetic acid is a bifunctional chelating agent with two t-butyl groups and one acid group that shows high complexation constant with metals.
• Uses: NOTA-bis(t-Bu ester), is a bifunctional chelator.

Technology Process of 2-{4,7-bis-tert-butoxycarbonylmethyl-[1,4,7] triazocyclononan-1-yl}acetic acid

There total 4 articles about 2-{4,7-bis-tert-butoxycarbonylmethyl-[1,4,7] triazocyclononan-1-yl}acetic 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%

bromoacetic acid (79-08-3) + 1,4-bis(tert-butoxycarbonylmethyl)-1,4,7-triazacyclononane (174137-97-4) → 2-{4,7-bis-tert-butoxycarbonylmethyl-[1,4,7] triazocyclononan-1-yl}acetic acid (1161415-28-6)

Guidance literature:

bromoacetic acid; 1,4-bis(tert-butoxycarbonylmethyl)-1,4,7-triazacyclononane; With potassium carbonate; In methanol; water; at 20 ℃; for 16h;

With hydrogenchloride; In water; pH=2 - 3;

DOI:10.1021/jacs.8b05685

Reference yield: 64.0%

1,4-bis(tert-butoxycarbonylmethyl)-1,4,7-triazanonane + bromoacetic acid (79-08-3) → 2-{4,7-bis-tert-butoxycarbonylmethyl-[1,4,7] triazocyclononan-1-yl}acetic acid (1161415-28-6)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃;

Reference yield:

di-tert-butyl 2,2'-{7-[2-(benzyloxy)-2-oxyethyl-(1,4,7-triazacyclononane)-1,4-diyl]}diacetate (1161415-30-0) → 2-{4,7-bis-tert-butoxycarbonylmethyl-[1,4,7] triazocyclononan-1-yl}acetic acid (1161415-28-6)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In isopropyl alcohol; for 72h; under 2585.81 Torr;

DOI:10.1021/bc100137x

upstream raw materials:

di-tert-butyl 2,2'-{7-[2-(benzyloxy)-2-oxyethyl-(1,4,7-triazacyclononane)-1,4-diyl]}diacetate

bromoacetic acid

1,4-bis(tert-butoxycarbonylmethyl)-1,4,7-triazacyclononane

bromoacetic acid tert-butyl ester

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