5-(2-(benzylamino)-7-chloro-4H-benzo[5,6]cyclohepta[1,2-d]-thiazol-4-yl)-1-methylpyrimidine-2,4(1H,3H)-dione

Base Information

• Chemical Name: 5-(2-(benzylamino)-7-chloro-4H-benzo[5,6]cyclohepta[1,2-d]-thiazol-4-yl)-1-methylpyrimidine-2,4(1H,3H)-dione
• CAS No.: 226721-62-6
• Molecular Formula: C₂₄H₁₉ClN₄O₂S
• Molecular Weight: 462.959

Synonyms:5-(2-(benzylamino)-7-chloro-4H-benzo[5,6]cyclohepta[1,2-d]-thiazol-4-yl)-1-methylpyrimidine-2,4(1H,3H)-dione

Chemical Property of 5-(2-(benzylamino)-7-chloro-4H-benzo[5,6]cyclohepta[1,2-d]-thiazol-4-yl)-1-methylpyrimidine-2,4(1H,3H)-dione

Chemical Property:

Purity/Quality:

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Technology Process of 5-(2-(benzylamino)-7-chloro-4H-benzo[5,6]cyclohepta[1,2-d]-thiazol-4-yl)-1-methylpyrimidine-2,4(1H,3H)-dione

There total 10 articles about 5-(2-(benzylamino)-7-chloro-4H-benzo[5,6]cyclohepta[1,2-d]-thiazol-4-yl)-1-methylpyrimidine-2,4(1H,3H)-dione 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: 51.0%

5-(2,7-dichloro-4H-benzo[5,6]cyclohepta[1,2-d]thiazol-4-yl)-1-methylpyrimidine-2,4(1H,3H)-dione + benzylamine (100-46-9) → 5-(2-(benzylamino)-7-chloro-4H-benzo[5,6]cyclohepta[1,2-d]-thiazol-4-yl)-1-methylpyrimidine-2,4(1H,3H)-dione (226721-62-6)

Guidance literature:

With triethylamine; In 1,4-dioxane; Inert atmosphere;

DOI:10.1021/acs.jmedchem.8b00139

Reference yield:

3-iodochlorobenzene (625-99-0) → 5-(2-(benzylamino)-7-chloro-4H-benzo[5,6]cyclohepta[1,2-d]-thiazol-4-yl)-1-methylpyrimidine-2,4(1H,3H)-dione (226721-62-6)

Guidance literature:

Multi-step reaction with 9 steps

1.1: tetrabutyl-ammonium chloride; sodium hydrogencarbonate; palladium diacetate / N,N-dimethyl-formamide / 18.5 h / 0 - 50 °C / Inert atmosphere

2.1: sodium ethanolate / diethyl ether / 1.5 h / -10 - 40 °C / Inert atmosphere

2.2: 2.67 h

3.1: copper dichloride; tert.-butylnitrite / acetonitrile / 2.25 h / 20 °C / Inert atmosphere

4.1: sodium hydroxide / water; tetrahydrofuran / 24 h / 20 °C

5.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere

5.2: 18 h / 20 °C / Inert atmosphere

6.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C / Inert atmosphere

6.2: 1.25 h / -78 - 20 °C

7.1: acetic acid / 1,4-dioxane / 0.17 h / 140 °C / Microwave irradiation

8.1: N,O-Bis(trimethylsilyl)trifluoroacetamide / 1,2-dichloro-ethane / 18 h / Inert atmosphere; Reflux

8.2: 6 h / 50 °C

9.1: triethylamine / 1,4-dioxane / Inert atmosphere

With n-butyllithium; tert.-butylnitrite; oxalyl dichloride; tetrabutyl-ammonium chloride; sodium ethanolate; palladium diacetate; N,O-Bis(trimethylsilyl)trifluoroacetamide; sodium hydrogencarbonate; acetic acid; triethylamine; N,N-dimethyl-formamide; sodium hydroxide; copper dichloride; In tetrahydrofuran; 1,4-dioxane; diethyl ether; hexane; dichloromethane; water; 1,2-dichloro-ethane; N,N-dimethyl-formamide; acetonitrile; 1.1: |Heck Reaction;

DOI:10.1021/acs.jmedchem.8b00139

Reference yield:

3-(3-chlorophenyl)propanal (136415-83-3) → 5-(2-(benzylamino)-7-chloro-4H-benzo[5,6]cyclohepta[1,2-d]-thiazol-4-yl)-1-methylpyrimidine-2,4(1H,3H)-dione (226721-62-6)

Guidance literature:

Multi-step reaction with 8 steps

1.1: sodium ethanolate / diethyl ether / 1.5 h / -10 - 40 °C / Inert atmosphere

1.2: 2.67 h

2.1: copper dichloride; tert.-butylnitrite / acetonitrile / 2.25 h / 20 °C / Inert atmosphere

3.1: sodium hydroxide / water; tetrahydrofuran / 24 h / 20 °C

4.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 3 h / 0 - 20 °C / Inert atmosphere

4.2: 18 h / 20 °C / Inert atmosphere

5.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / -78 °C / Inert atmosphere

5.2: 1.25 h / -78 - 20 °C

6.1: acetic acid / 1,4-dioxane / 0.17 h / 140 °C / Microwave irradiation

7.1: N,O-Bis(trimethylsilyl)trifluoroacetamide / 1,2-dichloro-ethane / 18 h / Inert atmosphere; Reflux

7.2: 6 h / 50 °C

8.1: triethylamine / 1,4-dioxane / Inert atmosphere

With n-butyllithium; tert.-butylnitrite; oxalyl dichloride; sodium ethanolate; N,O-Bis(trimethylsilyl)trifluoroacetamide; acetic acid; triethylamine; N,N-dimethyl-formamide; sodium hydroxide; copper dichloride; In tetrahydrofuran; 1,4-dioxane; diethyl ether; hexane; dichloromethane; water; 1,2-dichloro-ethane; acetonitrile;

DOI:10.1021/acs.jmedchem.8b00139

upstream raw materials:

3-iodochlorobenzene

benzylamine

3-(3-chlorophenyl)propanal

2-chloro-5-(3-chlorophenethyl)thiazole-4-carboxylic acid

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