C₂₁H₁₈F₄N₄O₂

Base Information

• Chemical Name: C₂₁H₁₈F₄N₄O₂
• CAS No.: 864236-90-8
• Molecular Formula: C₂₁H₁₈F₄N₄O₂
• Molecular Weight: 434.393
• Mol file: 864236-90-8.mol

Synonyms:

Chemical Property of C₂₁H₁₈F₄N₄O₂

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₂₁H₁₈F₄N₄O₂

There total 12 articles about C₂₁H₁₈F₄N₄O₂ 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:

methyl 7-{[(trifluoromethyl)sulfonyl]oxy}-3-isoquinolinecarboxylate (864237-03-6) → C21H18F4N4O2 (864236-90-8)

Guidance literature:

Multi-step reaction with 8 steps

1: bis-triphenylphosphine-palladium(II) chloride; lithium chloride / N,N-dimethyl-formamide / 1 h / 90 °C

2: magnesium chloride / tetrahydrofuran / 4 h / 20 °C

3: sodium periodate; osmium(VIII) oxide / 1-methyl-pyrrolidin-2-one; water; acetone / 24 h / 20 °C

4: sodium tetrahydroborate / methanol

5: thionyl chloride / dichloromethane / 2 h / 20 °C

6: dimethyl sulfoxide / 3.5 h / 50 °C

7: ammonia; hydrogen / ethanol / 24 h / 45 °C / 3750.38 Torr

8: N-ethyl-N,N-diisopropylamine / 20 °C

With bis-triphenylphosphine-palladium(II) chloride; sodium tetrahydroborate; sodium periodate; osmium(VIII) oxide; thionyl chloride; ammonia; hydrogen; N-ethyl-N,N-diisopropylamine; lithium chloride; magnesium chloride; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; methanol; ethanol; dichloromethane; water; dimethyl sulfoxide; N,N-dimethyl-formamide; acetone; 1: Stille coupling;

DOI:10.1016/j.bmcl.2011.02.108

Reference yield:

7-hydroxy-isoquinoline-3-carboxylic acid methyl ester (864237-02-5) → C21H18F4N4O2 (864236-90-8)

Guidance literature:

Multi-step reaction with 9 steps

1: pyridine / dichloromethane / 1 h / 0 - 5 °C

2: bis-triphenylphosphine-palladium(II) chloride; lithium chloride / N,N-dimethyl-formamide / 1 h / 90 °C

3: magnesium chloride / tetrahydrofuran / 4 h / 20 °C

4: sodium periodate; osmium(VIII) oxide / 1-methyl-pyrrolidin-2-one; water; acetone / 24 h / 20 °C

5: sodium tetrahydroborate / methanol

6: thionyl chloride / dichloromethane / 2 h / 20 °C

7: dimethyl sulfoxide / 3.5 h / 50 °C

8: ammonia; hydrogen / ethanol / 24 h / 45 °C / 3750.38 Torr

9: N-ethyl-N,N-diisopropylamine / 20 °C

With pyridine; bis-triphenylphosphine-palladium(II) chloride; sodium tetrahydroborate; sodium periodate; osmium(VIII) oxide; thionyl chloride; ammonia; hydrogen; N-ethyl-N,N-diisopropylamine; lithium chloride; magnesium chloride; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; methanol; ethanol; dichloromethane; water; dimethyl sulfoxide; N,N-dimethyl-formamide; acetone; 2: Stille coupling;

DOI:10.1016/j.bmcl.2011.02.108

Reference yield:

C13H11NO2 (864237-04-7) → C21H18F4N4O2 (864236-90-8)

Guidance literature:

Multi-step reaction with 7 steps

1: magnesium chloride / tetrahydrofuran / 4 h / 20 °C

2: sodium periodate; osmium(VIII) oxide / 1-methyl-pyrrolidin-2-one; water; acetone / 24 h / 20 °C

3: sodium tetrahydroborate / methanol

4: thionyl chloride / dichloromethane / 2 h / 20 °C

5: dimethyl sulfoxide / 3.5 h / 50 °C

6: ammonia; hydrogen / ethanol / 24 h / 45 °C / 3750.38 Torr

7: N-ethyl-N,N-diisopropylamine / 20 °C

With sodium tetrahydroborate; sodium periodate; osmium(VIII) oxide; thionyl chloride; ammonia; hydrogen; N-ethyl-N,N-diisopropylamine; magnesium chloride; In tetrahydrofuran; 1-methyl-pyrrolidin-2-one; methanol; ethanol; dichloromethane; water; dimethyl sulfoxide; acetone;

DOI:10.1016/j.bmcl.2011.02.108

upstream raw materials:

7-hydroxy-isoquinoline-3-carboxylic acid methyl ester

methyl 7-{[(trifluoromethyl)sulfonyl]oxy}-3-isoquinolinecarboxylate

C₁₃H₁₅N₃O

C₁₃H₁₁NO₂

Refernces