C₄₅H₄₇ClF₃N₄O₇PS₃

Base Information

• Chemical Name: C₄₅H₄₇ClF₃N₄O₇PS₃
• CAS No.: 1616557-67-5
• Molecular Formula: C₄₅H₄₇ClF₃N₄O₇PS₃
• Molecular Weight: 975.511
• Mol file: 1616557-67-5.mol

Synonyms:C₄₅H₄₇ClF₃N₄O₇PS₃

Chemical Property of C₄₅H₄₇ClF₃N₄O₇PS₃

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₄₅H₄₇ClF₃N₄O₇PS₃

There total 14 articles about C₄₅H₄₇ClF₃N₄O₇PS₃ 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:

diethyl (4-bromophenyl)phosphonate (20677-12-7) → C45H47ClF3N4O7PS3 (1616557-67-5)

Guidance literature:

Multi-step reaction with 13 steps

1.1: trimethylsilyl bromide

2.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane

3.1: tetrahydrofuran / -78 °C

4.1: water / 90 °C

5.1: carbonochloridic acid 1-chloro-ethyl ester / toluene / Reflux

5.2: Reflux

6.1: triethylamine / dichloromethane

7.1: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / water; 1,2-dimethoxyethane / 80 °C

8.1: ozone / methanol / -78 °C

9.1: potassium permanganate / acetone

10.1: hydrogenchloride / Reflux

11.1: sodium tris(acetoxy)borohydride / 1,2-dichloro-ethane

12.1: lithium hydroxide; water / tetrahydrofuran; methanol / 100 °C

13.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / dichloromethane

With hydrogenchloride; dmap; potassium permanganate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; oxalyl dichloride; trimethylsilyl bromide; carbonochloridic acid 1-chloro-ethyl ester; water; sodium tris(acetoxy)borohydride; potassium carbonate; ozone; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N,N-dimethyl-formamide; lithium hydroxide; In tetrahydrofuran; methanol; 1,2-dimethoxyethane; dichloromethane; water; 1,2-dichloro-ethane; acetone; toluene; 7.1: |Suzuki Coupling;

DOI:10.1016/j.bmcl.2014.05.036

Reference yield:

1,4-bromoiodobenzene (589-87-7) → C45H47ClF3N4O7PS3 (1616557-67-5)

Guidance literature:

Multi-step reaction with 14 steps

1.1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; triethylamine; potassium acetate / tetrahydrofuran / 22 h / 68 °C

2.1: trimethylsilyl bromide

3.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane

4.1: tetrahydrofuran / -78 °C

5.1: water / 90 °C

6.1: carbonochloridic acid 1-chloro-ethyl ester / toluene / Reflux

6.2: Reflux

7.1: triethylamine / dichloromethane

8.1: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / water; 1,2-dimethoxyethane / 80 °C

9.1: ozone / methanol / -78 °C

10.1: potassium permanganate / acetone

11.1: hydrogenchloride / Reflux

12.1: sodium tris(acetoxy)borohydride / 1,2-dichloro-ethane

13.1: lithium hydroxide; water / tetrahydrofuran; methanol / 100 °C

14.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / dichloromethane

With hydrogenchloride; dmap; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium permanganate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; oxalyl dichloride; trimethylsilyl bromide; carbonochloridic acid 1-chloro-ethyl ester; water; potassium acetate; sodium tris(acetoxy)borohydride; potassium carbonate; ozone; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N,N-dimethyl-formamide; lithium hydroxide; In tetrahydrofuran; methanol; 1,2-dimethoxyethane; dichloromethane; water; 1,2-dichloro-ethane; acetone; toluene; 8.1: |Suzuki Coupling;

DOI:10.1016/j.bmcl.2014.05.036

Reference yield:

C17H19BrNOP (1616558-16-7) → C45H47ClF3N4O7PS3 (1616557-67-5)

Guidance literature:

Multi-step reaction with 9 steps

1.1: carbonochloridic acid 1-chloro-ethyl ester / toluene / Reflux

1.2: Reflux

2.1: triethylamine / dichloromethane

3.1: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / water; 1,2-dimethoxyethane / 80 °C

4.1: ozone / methanol / -78 °C

5.1: potassium permanganate / acetone

6.1: hydrogenchloride / Reflux

7.1: sodium tris(acetoxy)borohydride / 1,2-dichloro-ethane

8.1: lithium hydroxide; water / tetrahydrofuran; methanol / 100 °C

9.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; dmap / dichloromethane

With hydrogenchloride; dmap; potassium permanganate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; carbonochloridic acid 1-chloro-ethyl ester; water; sodium tris(acetoxy)borohydride; potassium carbonate; ozone; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; lithium hydroxide; In tetrahydrofuran; methanol; 1,2-dimethoxyethane; dichloromethane; water; 1,2-dichloro-ethane; acetone; toluene; 3.1: |Suzuki Coupling;

DOI:10.1016/j.bmcl.2014.05.036

upstream raw materials:

[4-((R)-3-morpholin-4-yl-1-phenylsulfanyl-methyl-propylamino)-3-trifluoromethanesulfonyl]benzenesulfonamide

C₂₄H₂₃ClNO₃P

1,4-bromoiodobenzene

diethyl (4-bromophenyl)phosphonate

Refernces