N-[4-(1-acetyl-piperidin-4-yl)-3-trifluoromethylbenzoyl]guanidine

Base Information

• Chemical Name: N-[4-(1-acetyl-piperidin-4-yl)-3-trifluoromethylbenzoyl]guanidine
• CAS No.: 1204329-34-9
• Molecular Formula: C₁₆H₁₉F₃N₄O₂
• Molecular Weight: 356.348

Synonyms:N-[4-(1-acetyl-piperidin-4-yl)-3-trifluoromethylbenzoyl]guanidine

Chemical Property of N-[4-(1-acetyl-piperidin-4-yl)-3-trifluoromethylbenzoyl]guanidine

Chemical Property:

• Density: 1.42±0.1 g/cm3(Predicted)

Purity/Quality:

99% ^*data from raw suppliers

4-(1-Acetyl-4-piperidinyl)-N-(aminoiminomethyl)-3-(trifluoromethyl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 4-(1-Acetyl-4-piperidinyl)-N-(aminoiminomethyl)-3-(trifluoromethyl)benzamide is an inhibitor of sodium-hydrogen exchanger isoform 1 (NHE1), a ubiquitously expressed transmembrane ion channel that regulates intracellular pH.

Technology Process of N-[4-(1-acetyl-piperidin-4-yl)-3-trifluoromethylbenzoyl]guanidine

There total 15 articles about N-[4-(1-acetyl-piperidin-4-yl)-3-trifluoromethylbenzoyl]guanidine 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: 88.4%

4-(1-acetylpiperidin-4-yl)-3-(trifluoromethyl)methylbenzoate (1204331-63-4) + guanidine hydrochloride (50-01-1) → C15H16F3NO3 (1422252-53-6) + C31H33F6N5O4 (1422252-54-7) + 4-(1-acetylpiperidin-4-yl)-N-(diaminomethylene)-3-(trifluoromethyl)benzamide (1204329-34-9)

Guidance literature:

guanidine hydrochloride; With 1-methyl-pyrrolidin-2-one; sodium tert-pentoxide; at 10 - 25 ℃; Large scale;

4-(1-acetylpiperidin-4-yl)-3-(trifluoromethyl)methylbenzoate; at 20 - 25 ℃; for 3h; Large scale;

DOI:10.1021/op300331b

Reference yield: 85.0%

guanidine hydrochloride salt + 4-(1-acetylpiperidin-4-yl)-3-(trifluoromethyl)methylbenzoate (1204331-63-4) → N-[4-(1-acetyl-piperidin-4-yl)-3-trifluoromethylbenzoyl]guanidine (1204329-34-9)

Guidance literature:

guanidine hydrochloride salt; With sodium tert-pentoxide; In N,N-dimethyl-formamide; at 4 - 20 ℃;

4-(1-acetylpiperidin-4-yl)-3-(trifluoromethyl)methylbenzoate; In N,N-dimethyl-formamide; at 20 ℃;

With water; In N,N-dimethyl-formamide; for 1h;

Reference yield:

4-bromo-3-trifluoromethylbenzoic acid methyl ester (107317-58-8) → N-[4-(1-acetyl-piperidin-4-yl)-3-trifluoromethylbenzoyl]guanidine (1204329-34-9)

Guidance literature:

Multi-step reaction with 7 steps

1.1: potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / 1,4-dioxane; water / 4 h / 140 °C

2.1: hydrogen; acetic acid; platinum(IV) oxide / 60 h / Inert atmosphere

3.1: potassium carbonate; hydrogenchloride / methanol; water / 16 h / 20 °C

4.1: 2-chloro-1-methyl-pyridinium iodide / 1-methyl-pyrrolidin-2-one / 1 h / 20 - 50 °C

4.2: 20 °C

5.1: hydrogenchloride / 1,4-dioxane / 16 h

6.1: triethylamine / dichloromethane / 1 h / 20 °C

7.1: 10% Pd/C / ethyl acetate / 2 h

With hydrogenchloride; platinum(IV) oxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; 10% Pd/C; 2-chloro-1-methyl-pyridinium iodide; hydrogen; potassium carbonate; acetic acid; triethylamine; In 1,4-dioxane; 1-methyl-pyrrolidin-2-one; methanol; dichloromethane; water; ethyl acetate; 1.1: |Suzuki Coupling;

DOI:10.1021/jm300601d

upstream raw materials:

4-(1-acetylpiperidin-4-yl)-3-(trifluoromethyl)methylbenzoate

4-bromo-3-(trifluoromethyl)benzoic acid

C₂₇H₃₁F₃N₄O₅

4-bromo-3-trifluoromethylbenzoic acid methyl ester

Downstream raw materials:

C₁₆H₁₉F₃N₄O₂*ClH

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