5-(4-phenoxyphenyl)-5-(4-(3-chloro-6-fluorobenzo[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl)pyrimidine-2,4,6-(1H,3H,5H)-trione

Base Information

• Chemical Name: 5-(4-phenoxyphenyl)-5-(4-(3-chloro-6-fluorobenzo[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl)pyrimidine-2,4,6-(1H,3H,5H)-trione
• CAS No.: 1333167-36-4
• Molecular Formula: C₃₀H₂₄ClFN₄O₅S
• Molecular Weight: 607.062

Synonyms:5-(4-phenoxyphenyl)-5-(4-(3-chloro-6-fluorobenzo[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl)pyrimidine-2,4,6-(1H,3H,5H)-trione

Chemical Property of 5-(4-phenoxyphenyl)-5-(4-(3-chloro-6-fluorobenzo[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl)pyrimidine-2,4,6-(1H,3H,5H)-trione

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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Useful:

Technology Process of 5-(4-phenoxyphenyl)-5-(4-(3-chloro-6-fluorobenzo[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl)pyrimidine-2,4,6-(1H,3H,5H)-trione

There total 7 articles about 5-(4-phenoxyphenyl)-5-(4-(3-chloro-6-fluorobenzo[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl)pyrimidine-2,4,6-(1H,3H,5H)-trione 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: 27.0%

3-Chlor-6-fluor-benzo-thiophen-2-carbonsaeurechlorid (34576-83-5) + 5-(1,4-diazepan-1-yl)-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (1333167-26-2) → 5-(4-phenoxyphenyl)-5-(4-(3-chloro-6-fluorobenzo[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl)pyrimidine-2,4,6-(1H,3H,5H)-trione (1333167-36-4)

Guidance literature:

With triethylamine; In tetrahydrofuran; at -70 ℃; for 2h;

DOI:10.1016/j.bmc.2011.06.055

Reference yield:

5-bromo-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione → 5-(4-phenoxyphenyl)-5-(4-(3-chloro-6-fluorobenzo[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl)pyrimidine-2,4,6-(1H,3H,5H)-trione (1333167-36-4)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol / 24 h / 20 °C

2: triethylamine / tetrahydrofuran / 2 h / -70 °C

With triethylamine; In tetrahydrofuran; methanol;

DOI:10.1016/j.bmc.2011.06.055

Reference yield:

Methyl 4-hydroxyphenylacetate (14199-15-6) → 5-(4-phenoxyphenyl)-5-(4-(3-chloro-6-fluorobenzo[b]thiophene-2-carbonyl)-1,4-diazepan-1-yl)pyrimidine-2,4,6-(1H,3H,5H)-trione (1333167-36-4)

Guidance literature:

Multi-step reaction with 6 steps

1: pyridine; copper diacetate / dichloromethane / 20 h / 20 °C / Molecular sieve

2: sodium hydride / tetrahydrofuran / 6 h / 100 - 105 °C

3: ethanol; sodium / 7 h / 100 °C

4: hydrogen bromide; bromine / water / 0 - 10 °C

5: methanol / 24 h / 20 °C

6: triethylamine / tetrahydrofuran / 2 h / -70 °C

With pyridine; ethanol; hydrogen bromide; bromine; copper diacetate; sodium; sodium hydride; triethylamine; In tetrahydrofuran; methanol; dichloromethane; water;

DOI:10.1016/j.bmc.2011.06.055

upstream raw materials:

3-Chlor-6-fluor-benzo-thiophen-2-carbonsaeurechlorid

5-(1,4-diazepan-1-yl)-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione

Methyl 4-hydroxyphenylacetate

methyl [p-(phenoxy)phenyl]acetate

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