3-({[5-[(3,3-dimethylbutanoyl)-amino]-1-(2-fluorobenzyl)-1H-indol-2-yl]-carbonyl}-amino)benzoic acid

Base Information

Chemical Name:3-({[5-[(3,3-dimethylbutanoyl)-amino]-1-(2-fluorobenzyl)-1H-indol-2-yl]-carbonyl}-amino)benzoic acid
CAS No.:509149-89-7
Molecular Formula:C₂₉H₂₈FN₃O₄
Molecular Weight:501.557
Hs Code.:

Synonyms:3-({[5-[(3,3-dimethylbutanoyl)-amino]-1-(2-fluorobenzyl)-1H-indol-2-yl]-carbonyl}-amino)benzoic acid

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Chemical Property of 3-({[5-[(3,3-dimethylbutanoyl)-amino]-1-(2-fluorobenzyl)-1H-indol-2-yl]-carbonyl}-amino)benzoic acid

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Technology Process of 3-({[5-[(3,3-dimethylbutanoyl)-amino]-1-(2-fluorobenzyl)-1H-indol-2-yl]-carbonyl}-amino)benzoic acid

There total 7 articles about 3-({[5-[(3,3-dimethylbutanoyl)-amino]-1-(2-fluorobenzyl)-1H-indol-2-yl]-carbonyl}-amino)benzoic 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: 100.0%

: C₃₃H₃₆FN₃O₄

: 509149-89-7
3-({[5-[(3,3-dimethylbutanoyl)-amino]-1-(2-fluorobenzyl)-1H-indol-2-yl]-carbonyl}-amino)benzoic acid

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;

Reference yield:

: 509150-04-3
ethyl 1-(2-fluorobenzyl)-5-nitro-1H-indole-2-carboxylate

: 509149-89-7
3-({[5-[(3,3-dimethylbutanoyl)-amino]-1-(2-fluorobenzyl)-1H-indol-2-yl]-carbonyl}-amino)benzoic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 95 percent / ammonium formate / Pd/C / ethanol; ethyl acetate

2: 98 percent / triethylamine / CH₂Cl₂ / 0 - 20 °C

3: 89 percent / aq. LiOH / methanol / 20 °C

4: HATU; DIPEA / dimethylformamide / 20 °C

With lithium hydroxide; ammonium formate; triethylamine; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; palladium on activated charcoal; In methanol; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2005.06.085

Reference yield:

: 446-48-0
o-fluorobenzyl bromide

: 509149-89-7
3-({[5-[(3,3-dimethylbutanoyl)-amino]-1-(2-fluorobenzyl)-1H-indol-2-yl]-carbonyl}-amino)benzoic acid

Guidance literature:: Multi-step reaction with 6 steps

1: 86 percent / KOt-Bu; 18-crown-6 / tetrahydrofuran / 0 - 20 °C

2: 95 percent / ammonium formate / Pd/C / ethanol; ethyl acetate

3: 98 percent / triethylamine / CH₂Cl₂ / 0 - 20 °C

4: 89 percent / aq. LiOH / methanol / 20 °C

5: HATU; DIPEA / dimethylformamide / 20 °C

With lithium hydroxide; 18-crown-6 ether; potassium tert-butylate; ammonium formate; triethylamine; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1016/j.bmcl.2005.06.085