C₃₉H₄₆N₂O₃S

Base Information

• Chemical Name: C₃₉H₄₆N₂O₃S
• CAS No.: 1403674-46-3
• Molecular Formula: C₃₉H₄₆N₂O₃S
• Molecular Weight: 622.872
• Mol file: 1403674-46-3.mol

Synonyms:C₃₉H₄₆N₂O₃S

Chemical Property of C₃₉H₄₆N₂O₃S

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₃₉H₄₆N₂O₃S

There total 6 articles about C₃₉H₄₆N₂O₃S 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: 58.0%

3-(4-bromophenyl)-2,5-bis(2-ethylhexyl)-6-(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione (1403674-45-2) + 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde (128376-64-7) → C39H46N2O3S (1403674-46-3)

Guidance literature:

With potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; XPhos; In tert-Amyl alcohol; water; toluene; at 80 ℃; for 6h; Inert atmosphere;

DOI:10.1039/c2cc35597c

Reference yield:

methyl 5-oxo-2-(thiophen-2-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate (1224573-55-0) → C39H46N2O3S (1403674-46-3)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium / tert-Amyl alcohol / 18 h / 90 °C

2: potassium carbonate / dimethyl sulfoxide / 18 h / 85 °C

3: potassium phosphate / toluene; tert-Amyl alcohol; water

With potassium phosphate; sodium; potassium carbonate; In tert-Amyl alcohol; water; dimethyl sulfoxide; toluene; 3: |Suzuki Coupling;

DOI:10.1039/c3ta13643d

Reference yield:

methyl 3-oxo-3-(thien-2-yl)propanoate (134568-16-4) → C39H46N2O3S (1403674-46-3)

Guidance literature:

Multi-step reaction with 5 steps

1: potassium carbonate / acetone; 1,2-dimethoxyethane / 18 h / 80 °C

2: ammonium acetate / acetic acid / 10 h / 115 °C

3: sodium / tert-Amyl alcohol / 18 h / 90 °C

4: potassium carbonate / dimethyl sulfoxide / 18 h / 85 °C

5: potassium phosphate / toluene; tert-Amyl alcohol; water

With potassium phosphate; ammonium acetate; sodium; potassium carbonate; In 1,2-dimethoxyethane; tert-Amyl alcohol; water; acetic acid; dimethyl sulfoxide; acetone; toluene; 5: |Suzuki Coupling;

DOI:10.1039/c3ta13643d

upstream raw materials:

3-(4-bromophenyl)-2,5-bis(2-ethylhexyl)-6-(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

methyl 5-oxo-2-(thiophen-2-yl)-4,5-dihydro-1H-pyrrole-3-carboxylate

2-Acetylthiophene

Downstream raw materials:

C₃₉H₄₅BrN₂O₃S