(E)-1-((3aS,6aS)-4,4-Dioxo-3-phenyl-3a,4,6,6a-tetrahydro-1-oxa-4λ⁶-thia-2,5-diaza-pentalen-5-yl)-but-2-en-1-one

Base Information

• Chemical Name: (E)-1-((3aS,6aS)-4,4-Dioxo-3-phenyl-3a,4,6,6a-tetrahydro-1-oxa-4λ⁶-thia-2,5-diaza-pentalen-5-yl)-but-2-en-1-one
• CAS No.: 849664-41-1
• Molecular Formula: C₁₄H₁₄N₂O₄S
• Molecular Weight: 306.342

Synonyms:(E)-1-((3aS,6aS)-4,4-Dioxo-3-phenyl-3a,4,6,6a-tetrahydro-1-oxa-4λ⁶-thia-2,5-diaza-pentalen-5-yl)-but-2-en-1-one

Chemical Property of (E)-1-((3aS,6aS)-4,4-Dioxo-3-phenyl-3a,4,6,6a-tetrahydro-1-oxa-4λ⁶-thia-2,5-diaza-pentalen-5-yl)-but-2-en-1-one

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (E)-1-((3aS,6aS)-4,4-Dioxo-3-phenyl-3a,4,6,6a-tetrahydro-1-oxa-4λ⁶-thia-2,5-diaza-pentalen-5-yl)-but-2-en-1-one

There total 4 articles about (E)-1-((3aS,6aS)-4,4-Dioxo-3-phenyl-3a,4,6,6a-tetrahydro-1-oxa-4λ⁶-thia-2,5-diaza-pentalen-5-yl)-but-2-en-1-one 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: 82.0%

trans-chrotonyl chloride (625-35-4,3488-22-0,10487-71-5) + (3aS,6aS)-3-Phenyl-3a,5,6,6a-tetrahydro-1-oxa-4-thia-2,5-diaza-pentalene 4,4-dioxide (509094-66-0) → (E)-1-((3aS,6aS)-4,4-Dioxo-3-phenyl-3a,4,6,6a-tetrahydro-1-oxa-4λ6-thia-2,5-diaza-pentalen-5-yl)-but-2-en-1-one (849664-41-1)

Guidance literature:

(3aS,6aS)-3-Phenyl-3a,5,6,6a-tetrahydro-1-oxa-4-thia-2,5-diaza-pentalene 4,4-dioxide; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 20 ℃;

trans-chrotonyl chloride; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1016/j.tetasy.2004.12.026

Reference yield:

benzonitrile oxide (873-67-6) → (E)-1-((3aS,6aS)-4,4-Dioxo-3-phenyl-3a,4,6,6a-tetrahydro-1-oxa-4λ6-thia-2,5-diaza-pentalen-5-yl)-but-2-en-1-one (849664-41-1)

Guidance literature:

Multi-step reaction with 4 steps

1.1: chlorosuccinimide; pyridine / CH₂Cl₂ / 0.83 h / 20 - 40 °C

1.2: 82 percent / triethylamine / CH₂Cl₂; toluene / 24 h / 20 °C

2.1: tetrahydrofuran / 24 h / Heating

2.2: phosphorus oxychloride / tetrahydrofuran / 12 h / Heating

2.3: 36 percent / 4-(dimethylamino)pyridine; triethylamine / tetrahydrofuran / 36 h / Heating

3.1: formic acid / 8 h / 70 °C

3.2: potassium hydroxide / ethanol / 12 h / 20 °C

4.1: n-butyl lithium / tetrahydrofuran; hexane / -78 - 20 °C

4.2: 82 percent / tetrahydrofuran; hexane / -78 - 20 °C

With pyridine; N-chloro-succinimide; n-butyllithium; formic acid; In tetrahydrofuran; hexane; dichloromethane;

DOI:10.1016/j.tetasy.2004.12.026

Reference yield:

(3aR,6aR)-3-Phenyl-6,6a-dihydro-3aH-1,5-dioxa-4-thia-2-aza-pentalene 4,4-dioxide → (E)-1-((3aS,6aS)-4,4-Dioxo-3-phenyl-3a,4,6,6a-tetrahydro-1-oxa-4λ6-thia-2,5-diaza-pentalen-5-yl)-but-2-en-1-one (849664-41-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: tetrahydrofuran / 24 h / Heating

1.2: phosphorus oxychloride / tetrahydrofuran / 12 h / Heating

1.3: 36 percent / 4-(dimethylamino)pyridine; triethylamine / tetrahydrofuran / 36 h / Heating

2.1: formic acid / 8 h / 70 °C

2.2: potassium hydroxide / ethanol / 12 h / 20 °C

3.1: n-butyl lithium / tetrahydrofuran; hexane / -78 - 20 °C

3.2: 82 percent / tetrahydrofuran; hexane / -78 - 20 °C

With n-butyllithium; formic acid; In tetrahydrofuran; hexane;

DOI:10.1016/j.tetasy.2004.12.026

upstream raw materials:

trans-chrotonyl chloride

(3aS,6aS)-3-Phenyl-3a,5,6,6a-tetrahydro-1-oxa-4-thia-2,5-diaza-pentalene 4,4-dioxide

benzonitrile oxide

(3aS,6aS)-3-Phenyl-5-((S)-1-phenyl-ethyl)-3a,5,6,6a-tetrahydro-1-oxa-4-thia-2,5-diaza-pentalene 4,4-dioxide

Downstream raw materials:

((3aS,6aS)-4,4-Dioxo-3-phenyl-3a,4,6,6a-tetrahydro-1-oxa-4λ⁶-thia-2,5-diaza-pentalen-5-yl)-((1R,2R,3S,4S)-3-methyl-bicyclo[2.2.1]hept-5-en-2-yl)-methanone

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