4-(4-{6-[(2S)-2-{[2-(4-cyanophenyl)ethyl]carbamoyl}azetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl}phenyl)benzoic acid

Base Information

• Chemical Name: 4-(4-{6-[(2S)-2-{[2-(4-cyanophenyl)ethyl]carbamoyl}azetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl}phenyl)benzoic acid
• CAS No.: 1595145-37-1
• Molecular Formula: C₃₁H₂₄F₃N₅O₃
• Molecular Weight: 571.558

Synonyms:4-(4-{6-[(2S)-2-{[2-(4-cyanophenyl)ethyl]carbamoyl}azetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl}phenyl)benzoic acid

Chemical Property of 4-(4-{6-[(2S)-2-{[2-(4-cyanophenyl)ethyl]carbamoyl}azetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl}phenyl)benzoic acid

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Technology Process of 4-(4-{6-[(2S)-2-{[2-(4-cyanophenyl)ethyl]carbamoyl}azetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl}phenyl)benzoic acid

There total 6 articles about 4-(4-{6-[(2S)-2-{[2-(4-cyanophenyl)ethyl]carbamoyl}azetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl}phenyl)benzoic acid 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: 93.0%

(S)-methyl 4'-(6-(2-((4-cyanophenylethyl)carbamoyl)azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl)-[1,1'-biphenyl]-4-carboxylate (1595145-35-9) → 4-(4-{6-[(2S)-2-{[2-(4-cyanophenyl)ethyl]carbamoyl}azetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl}phenyl)benzoic acid (1595145-37-1)

Guidance literature:

(S)-methyl 4'-(6-(2-((4-cyanophenylethyl)carbamoyl)azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl)-[1,1'-biphenyl]-4-carboxylate; With lithium hydroxide; In tetrahydrofuran; methanol; at 50 - 70 ℃; for 1.5h;

With citric acid; In tetrahydrofuran; methanol; dichloromethane;

DOI:10.1021/jm401731q

Reference yield:

methyl 4’-bromo-[1,1’-diphenyl]-4-carboxylate (89901-03-1) → 4-(4-{6-[(2S)-2-{[2-(4-cyanophenyl)ethyl]carbamoyl}azetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl}phenyl)benzoic acid (1595145-37-1)

Guidance literature:

Multi-step reaction with 3 steps

1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate / 1,4-dioxane / 18 h / 90 °C / Inert atmosphere; Sealed tube

2: dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / 1,4-dioxane; water / 3 h / 95 °C / Inert atmosphere

3: lithium hydroxide / tetrahydrofuran; methanol / 1.5 h / 50 - 70 °C

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium acetate; lithium hydroxide; In tetrahydrofuran; 1,4-dioxane; methanol; water; 2: |Suzuki Coupling;

DOI:10.1021/jm401731q

Reference yield:

C9H7ClF3N3O2 → 4-(4-{6-[(2S)-2-{[2-(4-cyanophenyl)ethyl]carbamoyl}azetidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl}phenyl)benzoic acid (1595145-37-1)

Guidance literature:

Multi-step reaction with 3 steps

1: N-ethyl-N,N-diisopropylamine / isopropyl alcohol / 0.25 h / 0 - 25 °C

2: dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾ / 1,4-dioxane; water / 3 h / 95 °C / Inert atmosphere

3: lithium hydroxide / tetrahydrofuran; methanol / 1.5 h / 50 - 70 °C

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; N-ethyl-N,N-diisopropylamine; lithium hydroxide; In tetrahydrofuran; 1,4-dioxane; methanol; water; isopropyl alcohol; 2: |Suzuki Coupling;

DOI:10.1021/jm401731q

upstream raw materials:

methyl 4’-bromo-[1,1’-diphenyl]-4-carboxylate

(S)-methyl 4'-(6-(2-((4-cyanophenylethyl)carbamoyl)azetidin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl)-[1,1'-biphenyl]-4-carboxylate

4,6-dichloro-2-(trifluoromethyl)pyrimidine

methyl 4′-chloro-[1,1′-biphenyl]-4-carboxylate

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