4,11-diacetic acid-6-(4-isothiocyanatobenzyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane

Base Information

Chemical Name:4,11-diacetic acid-6-(4-isothiocyanatobenzyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane
CAS No.:795288-11-8
Molecular Formula:C₂₄H₃₅N₅O₄S
Molecular Weight:489.639
Hs Code.:

Synonyms:4,11-diacetic acid-6-(4-isothiocyanatobenzyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane

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Chemical Property of 4,11-diacetic acid-6-(4-isothiocyanatobenzyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane

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Technology Process of 4,11-diacetic acid-6-(4-isothiocyanatobenzyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane

There total 7 articles about 4,11-diacetic acid-6-(4-isothiocyanatobenzyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane 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: 95.0%

: 463-71-8
thiophosgene

: 4,11-diacetic acid-6-(4-aminobenzyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane pentahydrochloride

: 795288-11-8
4,11-diacetic acid-6-(4-isothiocyanatobenzyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane

Guidance literature:: In chloroform; water; at 20 ℃; pH=8;
DOI:10.1039/b406906d

Reference yield:

: 694527-20-3
cis-2-(4-nitrobenzyl)decahydro-3a,5a,8a,10a-tetraazapyrene

: 795288-11-8
4,11-diacetic acid-6-(4-isothiocyanatobenzyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane

Guidance literature:: Multi-step reaction with 7 steps

1: 75 percent / acetonitrile / 192 h / 20 °C

2: 78 percent / NaBH₄ / ethanol / 336 h / 20 °C

3: 79 percent / H₂ / Pd/C / acetic acid / 72 h / 20 °C

4: 93 percent / methanol / 20 °C

5: 50 percent / K₂CO₃ / acetonitrile / 72 h / 20 °C

6: 100 percent / aq. HCl / 48 h / 100 °C

7: 95 percent / CHCl₃; H₂O / 20 °C / pH 8

With hydrogenchloride; sodium tetrahydroborate; hydrogen; potassium carbonate; palladium on activated charcoal; In methanol; ethanol; chloroform; water; acetic acid; acetonitrile;
DOI:10.1039/b406906d

Reference yield:

: 796046-14-5
4,11-dibenzyl-6-(4-nitro-benzyl)-1,4,8,11-tetraaza-bicyclo[6.6.2]hexadecane

: 795288-11-8
4,11-diacetic acid-6-(4-isothiocyanatobenzyl)-1,4,8,11-tetraazabicyclo[6.6.2]hexadecane

Guidance literature:: Multi-step reaction with 5 steps

1: 79 percent / H₂ / Pd/C / acetic acid / 72 h / 20 °C

2: 93 percent / methanol / 20 °C

3: 50 percent / K₂CO₃ / acetonitrile / 72 h / 20 °C

4: 100 percent / aq. HCl / 48 h / 100 °C

5: 95 percent / CHCl₃; H₂O / 20 °C / pH 8

With hydrogenchloride; hydrogen; potassium carbonate; palladium on activated charcoal; In methanol; chloroform; water; acetic acid; acetonitrile;
DOI:10.1039/b406906d