3,3-dimethyl-4-[2-(4-nitro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-butyric acid ethyl ester

Base Information

Chemical Name:3,3-dimethyl-4-[2-(4-nitro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-butyric acid ethyl ester
CAS No.:898552-38-0
Molecular Formula:C₂₂H₂₁N₃O₆S
Molecular Weight:455.491
Hs Code.:

Synonyms:3,3-dimethyl-4-[2-(4-nitro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-butyric acid ethyl ester

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Chemical Property of 3,3-dimethyl-4-[2-(4-nitro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-butyric acid ethyl ester

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Technology Process of 3,3-dimethyl-4-[2-(4-nitro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-butyric acid ethyl ester

There total 7 articles about 3,3-dimethyl-4-[2-(4-nitro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-butyric acid ethyl 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: 40.0%

: 898552-73-3
4-isothiocyanato-3,3-dimethyl-butyric acid ethyl ester

: 898552-71-1
2-(4-nitro-phenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester

: 898552-38-0
3,3-dimethyl-4-[2-(4-nitro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-butyric acid ethyl ester

Guidance literature:: With potassium carbonate; at 140 ℃; for 16h;

Reference yield:

: 638-10-8
ethyl 3-methylbut-2-enoate

: 898552-38-0
3,3-dimethyl-4-[2-(4-nitro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-butyric acid ethyl ester

Guidance literature:: Multi-step reaction with 6 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 72 h / 60 °C

2: hydrogen / palladium 10% on activated carbon / methanol / 16 h / 110 °C / 3344.22 Torr

3: hydrogenchloride; water / 20 h / 120 °C

4: ethanol / 16 h / 85 °C / Heating / reflux

5: sodium hydrogencarbonate / chloroform; water / pH 7.1 - 7.4

6: potassium carbonate / 16 h / 140 °C

With hydrogenchloride; water; hydrogen; sodium hydrogencarbonate; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; palladium 10% on activated carbon; In methanol; ethanol; chloroform; water; acetonitrile;

Reference yield:

: 130912-54-8
3,3-dimethyl-4-nitro-butyric acid ethyl ester

: 898552-38-0
3,3-dimethyl-4-[2-(4-nitro-phenyl)-6-oxo-4-thioxo-6H-1-oxa-3b,5-diaza-cyclopenta[a]pentalen-5-yl]-butyric acid ethyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: hydrogen / palladium 10% on activated carbon / methanol / 16 h / 110 °C / 3344.22 Torr

2: hydrogenchloride; water / 20 h / 120 °C

3: ethanol / 16 h / 85 °C / Heating / reflux

4: sodium hydrogencarbonate / chloroform; water / pH 7.1 - 7.4

5: potassium carbonate / 16 h / 140 °C

With hydrogenchloride; water; hydrogen; sodium hydrogencarbonate; potassium carbonate; palladium 10% on activated carbon; In methanol; ethanol; chloroform; water;