1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane-4,11-diacetic acid

Base Information

Chemical Name:1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane-4,11-diacetic acid
CAS No.:313229-90-2
Molecular Formula:C16H30N4O4
Molecular Weight:342.43400
Hs Code.:
Mol file:313229-90-2.mol

Synonyms:2,2'-(1,4,8,11-tetraazabicyclo[6.6.2]hexadecane-4,11-diyl)diacetic acid;4,11-bis-(carboxymethyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane;2,2′-(1,4,8,11-tetraazabicyclo[6.6.2]hexadecane-4,11-diyl)diacetic acid;(11-Carboxymethyl-1,4,8,11-tetraaza-bicyclo[6.6.2]hexadec-4-yl)-acetic acid;4,11-bis(carboxymethyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane-4,11-diacetic acid;4,11-diacetato-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane;

Suppliers and Price of 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane-4,11-diacetic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
CB-TE2A
50mg
$ 250.00

Total 3 raw suppliers

Chemical Property of 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane-4,11-diacetic acid

Chemical Property:

Boiling Point:545.7±50.0 °C(Predicted)
PSA：87.56000
Density:1.27±0.1 g/cm3(Predicted)
LogP:-1.07740

Purity/Quality:

>95.00% ^*data from raw suppliers

CB-TE2A ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Uses CB-TE 2A, can be used in the preparation of 64Cu-CBTE2A-galectin-3 peptide as a PET radiotracer for breast carcinoma.

Technology Process of 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane-4,11-diacetic acid

There total 4 articles about 1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane-4,11-diacetic 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: 62.0%

: 313229-80-0
4,11-bis-(carboethoxymethyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane

: 313229-90-2
4,11-bis(carboxymethyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane-4,11-diacetic acid

Guidance literature:: With ammonium hydroxide; at 100 ℃; for 72h;
DOI:10.1021/ja001295j

Reference yield:

: 177937-60-9
4,11-dibenzyl-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane

: 313229-90-2
4,11-bis(carboxymethyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane-4,11-diacetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 80 percent / H₂; glac. AcOH / 10 percent Pd/C / 21 h / 759 Torr

2: 1.52 g / Na₂CO₃ / acetonitrile / 22.5 h / 50 °C

3: 62 percent / conc. aq. NH₃ / 72 h / 100 °C

With ammonium hydroxide; hydrogen; sodium carbonate; acetic acid; palladium on activated charcoal; In acetonitrile;
DOI:10.1021/ja001295j

Reference yield:

: (10bα,10cα)-decahydro-3a,8a-bis(phenylmethyl)-1H,6H-3a,5a,8a,10a-tetrazapyrenium dibromide

: 313229-90-2
4,11-bis(carboxymethyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane-4,11-diacetic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 88 percent / NaBH₄ / aq. ethanol / 384 h / 20 °C

2: 80 percent / H₂; glac. AcOH / 10 percent Pd/C / 21 h / 759 Torr

3: 1.52 g / Na₂CO₃ / acetonitrile / 22.5 h / 50 °C

4: 62 percent / conc. aq. NH₃ / 72 h / 100 °C

With ammonium hydroxide; sodium tetrahydroborate; hydrogen; sodium carbonate; acetic acid; palladium on activated charcoal; In ethanol; acetonitrile;
DOI:10.1021/ja001295j