N-((S)-hydroxycarbamoyl(phenyl)methyl)-4-(4-morpholin-4-ylmethylphenylethynyl)benzamide trifluoroacetate

Base Information

• Chemical Name: N-((S)-hydroxycarbamoyl(phenyl)methyl)-4-(4-morpholin-4-ylmethylphenylethynyl)benzamide trifluoroacetate
• CAS No.: 1093191-47-9
• Molecular Formula: C₂HF₃O₂*C₂₈H₂₇N₃O₄
• Molecular Weight: 583.564
• Mol file: 1093191-47-9.mol

Synonyms:N-((S)-hydroxycarbamoyl(phenyl)methyl)-4-(4-morpholin-4-ylmethylphenylethynyl)benzamide trifluoroacetate

Chemical Property of N-((S)-hydroxycarbamoyl(phenyl)methyl)-4-(4-morpholin-4-ylmethylphenylethynyl)benzamide trifluoroacetate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-((S)-hydroxycarbamoyl(phenyl)methyl)-4-(4-morpholin-4-ylmethylphenylethynyl)benzamide trifluoroacetate

There total 5 articles about N-((S)-hydroxycarbamoyl(phenyl)methyl)-4-(4-morpholin-4-ylmethylphenylethynyl)benzamide trifluoroacetate 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: 61.0%

(S)-(4-(4-morpholin-4-ylmethylphenylethynyl)benzoylamino)phenylacetic acid methyl ester (1093191-45-7) + trifluoroacetic acid (76-05-1) → N-((S)-hydroxycarbamoyl(phenyl)methyl)-4-(4-morpholin-4-ylmethylphenylethynyl)benzamide trifluoroacetate (1093191-47-9)

Guidance literature:

With hydroxylamine hydrochloride; sodium methylate; In methanol; at -5 ℃; for 0.0833333h;

(S)-(4-(4-morpholin-4-ylmethylphenylethynyl)benzoylamino)phenylacetic acid methyl ester; In tetrahydrofuran; methanol; at -20 - 20 ℃;

trifluoroacetic acid; With hydrogenchloride; more than 3 stages;

Reference yield:

4-cyanophenylacetylene (3032-92-6) → N-((S)-hydroxycarbamoyl(phenyl)methyl)-4-(4-morpholin-4-ylmethylphenylethynyl)benzamide trifluoroacetate (1093191-47-9)

Guidance literature:

Multi-step reaction with 5 steps

1.1: copper(l) iodide; triethylamine / bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 20 °C

2.1: sodium tris(acetoxy)borohydride / chloroform / 4 h / 20 °C

3.1: lithium hydroxide; water / 1,4-dioxane / 0.75 h / 130 °C / Microwave irradiation

3.2: pH ~ 3

4.1: O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.17 h / 20 °C

4.2: 20 °C

5.1: hydroxylamine hydrochloride; sodium methylate / methanol / 0.08 h / -5 °C

5.2: -20 - 20 °C

With lithium hydroxide; copper(l) iodide; O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; hydroxylamine hydrochloride; water; sodium methylate; sodium tris(acetoxy)borohydride; triethylamine; N-ethyl-N,N-diisopropylamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; 1,4-dioxane; methanol; chloroform; N,N-dimethyl-formamide;

Reference yield:

p-(iodophenyl)carboxaldehyde (15164-44-0) → N-((S)-hydroxycarbamoyl(phenyl)methyl)-4-(4-morpholin-4-ylmethylphenylethynyl)benzamide trifluoroacetate (1093191-47-9)

Guidance literature:

Multi-step reaction with 5 steps

1.1: copper(l) iodide; triethylamine / bis-triphenylphosphine-palladium(II) chloride / tetrahydrofuran / 20 °C

2.1: sodium tris(acetoxy)borohydride / chloroform / 4 h / 20 °C

3.1: lithium hydroxide; water / 1,4-dioxane / 0.75 h / 130 °C / Microwave irradiation

3.2: pH ~ 3

4.1: O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 0.17 h / 20 °C

4.2: 20 °C

5.1: hydroxylamine hydrochloride; sodium methylate / methanol / 0.08 h / -5 °C

5.2: -20 - 20 °C

With lithium hydroxide; copper(l) iodide; O-(7-azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; hydroxylamine hydrochloride; water; sodium methylate; sodium tris(acetoxy)borohydride; triethylamine; N-ethyl-N,N-diisopropylamine; bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; 1,4-dioxane; methanol; chloroform; N,N-dimethyl-formamide;

upstream raw materials:

(S)-(4-(4-morpholin-4-ylmethylphenylethynyl)benzoylamino)phenylacetic acid methyl ester

trifluoroacetic acid

4-(4-morpholin-4-ylmethylphenylethynyl)benzonitrile

4-(4-morpholin-4-ylmethylphenylethynyl)benzoic acid hydrochloride