C₃₀H₃₂F₂N₆O₂

Base Information

• Chemical Name: C₃₀H₃₂F₂N₆O₂
• CAS No.: 184378-04-9
• Molecular Formula: C₃₀H₃₂F₂N₆O₂
• Molecular Weight: 546.62
• Mol file: 184378-04-9.mol

Synonyms:C₃₀H₃₂F₂N₆O₂

Chemical Property of C₃₀H₃₂F₂N₆O₂

Chemical Property:

Purity/Quality:

99% ^*data from raw suppliers

4-[[4-[4-(4-Aminophenyl)-1-piperazinyl]phenoxy]methyl]-2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: 4-[[4-[4-(4-Aminophenyl)-1-piperazinyl]phenoxy]methyl]-2,5-anhydro-1,3,4-trideoxy-2-C-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-D-threo-pentitol is an impurity of (S)-Citalopram (C505005). (S)-Citalopram is an inhibitor of serotonin (5-HT) uptake. Antidepressant.

Technology Process of C₃₀H₃₂F₂N₆O₂

There total 12 articles about C₃₀H₃₂F₂N₆O₂ 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: 80.0%

(2R-cis)-2-(2,4-difluorophenyl)-4-[[(4-methylphenyl)sulfonyloxy]methyl]-2-[(1H-1,2,4-triazol-1-yl)methyl]tetrahydrofuran (149809-43-8) + 1-(4-aminophenyl)-4-(4-hydroxyphenyl)piperazine (74853-08-0) → C30H32F2N6O2 (184378-04-9)

Guidance literature:

1-(4-aminophenyl)-4-(4-hydroxyphenyl)piperazine; With 2,6-di-tert-butyl-4-methyl-phenol; sodium hydroxide; In water; dimethyl sulfoxide; at 28 - 32 ℃; for 0.166667h; Inert atmosphere; Large scale;

(2R-cis)-2-(2,4-difluorophenyl)-4-[[(4-methylphenyl)sulfonyloxy]methyl]-2-[(1H-1,2,4-triazol-1-yl)methyl]tetrahydrofuran; In dimethyl sulfoxide; at 28 - 32 ℃; Inert atmosphere; Large scale;

Reference yield: 35.0%

C14H14ClF2N3O*ClH + 1-(4-aminophenyl)-4-(4-hydroxyphenyl)piperazine (74853-08-0) → C30H32F2N6O2 (184378-04-9)

Guidance literature:

1-(4-aminophenyl)-4-(4-hydroxyphenyl)piperazine; With sodium iodide; sodium hydroxide; In dimethyl sulfoxide; at 20 - 30 ℃; for 0.166667h;

C₁₄H₁₄ClF₂N₃O*ClH; In dimethyl sulfoxide; at 50 - 100 ℃; for 3h;

Reference yield:

2-chloro-1-(2,4-dichlorophenyl)ethanone (51336-94-8) → C30H32F2N6O2 (184378-04-9)

Guidance literature:

Multi-step reaction with 9 steps

1.1: magnesium / tert-butyl methyl ether / 4 h / 55 °C

1.2: -10 - 0 °C

1.3: 3 h / 25 - 50 °C

2.1: sodium hydroxide / dimethyl sulfoxide / 5 h / 25 - 30 °C

3.1: water; lithium chloride; sodium tetrahydroborate / isopropyl alcohol / 20 h / -5 - 30 °C

3.2: pH 1

4.1: sodium hydrogencarbonate / toluene / 24 h / -15 °C / Enzymatic reaction

5.1: sodium hydrogencarbonate; iodine / ethyl acetate / 5 h / -15 °C

6.1: dimethyl sulfoxide / 24 h / 25 - 90 °C

6.2: 3 h / 25 - 30 °C

7.1: hydrogenchloride / tert-butyl methyl ether; acetone / 0.5 h / 25 - 30 °C

8.1: triethylamine / dichloromethane / 1 h / 12 - 22 °C

8.2: 4 h / 12 - 25 °C

9.1: 2,6-di-tert-butyl-4-methyl-phenol; sodium hydroxide; water / dimethyl sulfoxide / 0.17 h / 30 °C

9.2: 32 °C

With hydrogenchloride; sodium tetrahydroborate; 2,6-di-tert-butyl-4-methyl-phenol; water; iodine; sodium hydrogencarbonate; magnesium; triethylamine; lithium chloride; sodium hydroxide; In dichloromethane; tert-butyl methyl ether; dimethyl sulfoxide; ethyl acetate; isopropyl alcohol; acetone; toluene;

upstream raw materials:

2-chloro-1-(2,4-dichlorophenyl)ethanone

(2R-cis)-2-(2,4-difluorophenyl)-4-[[(4-methylphenyl)sulfonyloxy]methyl]-2-[(1H-1,2,4-triazol-1-yl)methyl]tetrahydrofuran

1-(4-aminophenyl)-4-(4-hydroxyphenyl)piperazine

2-[2-(2,4-difluorophenyl)-2-propene-1-yl]-1, 3-propanediol

Downstream raw materials:

C₃₇H₄₄F₂N₈O₅