2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-isoxazolo[5,4-c]thieno[2,3-e]azepin-6-yl)acetamide

Base Information

• Chemical Name: 2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-isoxazolo[5,4-c]thieno[2,3-e]azepin-6-yl)acetamide
• CAS No.: 1380087-45-5
• Molecular Formula: C₂₀H₁₈ClN₃O₂S
• Molecular Weight: 399.901

Synonyms:2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-isoxazolo[5,4-c]thieno[2,3-e]azepin-6-yl)acetamide

Chemical Property of 2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-isoxazolo[5,4-c]thieno[2,3-e]azepin-6-yl)acetamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-isoxazolo[5,4-c]thieno[2,3-e]azepin-6-yl)acetamide

There total 10 articles about 2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-isoxazolo[5,4-c]thieno[2,3-e]azepin-6-yl)acetamide 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: 41.2%

2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-isoxazolo[5,4-c]thieno[2,3-e]azepin-6-yl)acetic acid (1380088-18-5) → 2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-isoxazolo[5,4-c]thieno[2,3-e]azepin-6-yl)acetamide (1380087-45-5)

Guidance literature:

With ammonium chloride; N-ethyl-N,N-diisopropylamine; COMU; In N,N-dimethyl-formamide;

Reference yield:

methyl 2-bromo-4,5-dimethylthiophene-3-carboxylate (1019115-42-4) → 2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-isoxazolo[5,4-c]thieno[2,3-e]azepin-6-yl)acetamide (1380087-45-5)

Guidance literature:

Multi-step reaction with 11 steps

1.1: dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium phosphate / 1,4-dioxane; butan-1-ol / 1 h / 100 °C / Inert atmosphere

2.1: sodium methylate; methanol / 1.5 h

3.1: oxalyl dichloride; dimethyl sulfoxide / dichloromethane / 1 h / -78 °C

3.2: -78 - 20 °C

4.1: titanium(IV) tetraethanolate / dichloromethane / 24 h / 20 °C

5.1: 1-methyl-pyrrolidin-2-one; diethyl ether / 6.17 h / -8.5 - 5 °C

6.1: hydrogenchloride / 1,4-dioxane; methanol / 0.25 h / 20 °C

7.1: isopropylmagnesium bromide / tetrahydrofuran; 2-methyltetrahydrofuran / -20 - 20 °C

8.1: phosphorus pentachloride / dichloromethane / 1.5 h / 20 °C

9.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / toluene; water / 95 °C

10.1: trifluoroacetic acid / chloroform / 36 °C

11.1: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; ammonium chloride / dichloromethane

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; hydrogenchloride; methanol; titanium(IV) tetraethanolate; potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tetrakis(triphenylphosphine) palladium⁽⁰⁾; oxalyl dichloride; phosphorus pentachloride; isopropylmagnesium bromide; sodium methylate; potassium carbonate; ammonium chloride; dimethyl sulfoxide; triethylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In tetrahydrofuran; 2-methyltetrahydrofuran; 1,4-dioxane; 1-methyl-pyrrolidin-2-one; methanol; diethyl ether; dichloromethane; chloroform; water; toluene; butan-1-ol; 1.1: |Suzuki Coupling / 3.1: |Swern Oxidation / 3.2: |Swern Oxidation / 9.1: |Suzuki Coupling;

DOI:10.1021/ml4001485

Reference yield:

(3-methylisoxazol-5-yl)methyl acetate (43214-88-6) → 2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-isoxazolo[5,4-c]thieno[2,3-e]azepin-6-yl)acetamide (1380087-45-5)

Guidance literature:

Multi-step reaction with 13 steps

1.1: N-Bromosuccinimide; sulfuric acid; acetic acid / 1 h / 110 °C

2.1: triethylamine; dichloro bis(acetonitrile) palladium(II); dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane / 1,4-dioxane / 4 h / 110 °C / Inert atmosphere

3.1: dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium phosphate / 1,4-dioxane; butan-1-ol / 1 h / 100 °C / Inert atmosphere

4.1: sodium methylate; methanol / 1.5 h

5.1: oxalyl dichloride; dimethyl sulfoxide / dichloromethane / 1 h / -78 °C

5.2: -78 - 20 °C

6.1: titanium(IV) tetraethanolate / dichloromethane / 24 h / 20 °C

7.1: 1-methyl-pyrrolidin-2-one; diethyl ether / 6.17 h / -8.5 - 5 °C

8.1: hydrogenchloride / 1,4-dioxane; methanol / 0.25 h / 20 °C

9.1: isopropylmagnesium bromide / tetrahydrofuran; 2-methyltetrahydrofuran / -20 - 20 °C

10.1: phosphorus pentachloride / dichloromethane / 1.5 h / 20 °C

11.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate / toluene; water / 95 °C

12.1: trifluoroacetic acid / chloroform / 36 °C

13.1: triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; ammonium chloride / dichloromethane

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; hydrogenchloride; methanol; dichloro bis(acetonitrile) palladium(II); titanium(IV) tetraethanolate; potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N-Bromosuccinimide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; oxalyl dichloride; phosphorus pentachloride; sulfuric acid; isopropylmagnesium bromide; sodium methylate; potassium carbonate; ammonium chloride; acetic acid; dimethyl sulfoxide; triethylamine; trifluoroacetic acid; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In tetrahydrofuran; 2-methyltetrahydrofuran; 1,4-dioxane; 1-methyl-pyrrolidin-2-one; methanol; diethyl ether; dichloromethane; chloroform; water; toluene; butan-1-ol; 3.1: |Suzuki Coupling / 5.1: |Swern Oxidation / 5.2: |Swern Oxidation / 11.1: |Suzuki Coupling;

DOI:10.1021/ml4001485

upstream raw materials:

2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-isoxazolo[5,4-c]thieno[2,3-e]azepin-6-yl)acetic acid

methyl 2-bromo-4,5-dimethylthiophene-3-carboxylate

(3-methylisoxazol-5-yl)methyl acetate

methyl 4,5-dimethylthiophene-3-carboxylate

Downstream raw materials:

(6S)-6-((1H-imidazol-2-yl)methyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-isoxazolo[5,4-c]thieno[2,3-e]azepine

2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-isoxazolo[5,4-c]thieno[2,3-e]azepin-6-yl)ethanethioamide

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