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

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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
CAS No.:898552-39-1
Molecular Formula:C₂₀H₁₇N₃O₆S
Molecular Weight:427.437
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

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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

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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

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 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%

: 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

: 898552-39-1
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

Guidance literature:: With trifluoroacetic acid; In water; at 90 ℃; for 16h;

Reference yield:

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

: 898552-39-1
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

Guidance literature:: Multi-step reaction with 7 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

7: trifluoroacetic acid / water / 16 h / 90 °C

With hydrogenchloride; water; hydrogen; sodium hydrogencarbonate; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; trifluoroacetic acid; 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

: 898552-39-1
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

Guidance literature:: Multi-step reaction with 6 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

6: trifluoroacetic acid / water / 16 h / 90 °C

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