N-{(1R,3R,4S)-4-{[[3-(4-fluorophenyl)propyl](propyl)amino]methyl}-3-[({[3-(1-methyl-1H-tetrazol-5-yl)phenyl]amino}carbonyl)amino]cyclohexyl}-N-methylacetamide

Base Information

• Chemical Name: N-{(1R,3R,4S)-4-{[[3-(4-fluorophenyl)propyl](propyl)amino]methyl}-3-[({[3-(1-methyl-1H-tetrazol-5-yl)phenyl]amino}carbonyl)amino]cyclohexyl}-N-methylacetamide
• CAS No.: 852660-85-6
• Molecular Formula: C₃₁H₄₃FN₈O₂
• Molecular Weight: 578.733
• Mol file: 852660-85-6.mol

Synonyms:N-{(1R,3R,4S)-4-{[[3-(4-fluorophenyl)propyl](propyl)amino]methyl}-3-[({[3-(1-methyl-1H-tetrazol-5-yl)phenyl]amino}carbonyl)amino]cyclohexyl}-N-methylacetamide

Chemical Property of N-{(1R,3R,4S)-4-{[[3-(4-fluorophenyl)propyl](propyl)amino]methyl}-3-[({[3-(1-methyl-1H-tetrazol-5-yl)phenyl]amino}carbonyl)amino]cyclohexyl}-N-methylacetamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-{(1R,3R,4S)-4-{[[3-(4-fluorophenyl)propyl](propyl)amino]methyl}-3-[({[3-(1-methyl-1H-tetrazol-5-yl)phenyl]amino}carbonyl)amino]cyclohexyl}-N-methylacetamide

There total 21 articles about N-{(1R,3R,4S)-4-{[[3-(4-fluorophenyl)propyl](propyl)amino]methyl}-3-[({[3-(1-methyl-1H-tetrazol-5-yl)phenyl]amino}carbonyl)amino]cyclohexyl}-N-methylacetamide 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:

C20H32FN3O (852660-67-4) + [3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-carbamic acid phenyl ester (382637-78-7) → N-{(1R,3R,4S)-4-{[[3-(4-fluorophenyl)propyl](propyl)amino]methyl}-3-[({[3-(1-methyl-1H-tetrazol-5-yl)phenyl]amino}carbonyl)amino]cyclohexyl}-N-methylacetamide (852660-85-6) + N-{(1S,3R,4S)-4-{[[3-(4-fluorophenyl)propyl](propyl)amino]methyl}-3-[({[3-(1-methyl-1H-tetrazol-5-yl)phenyl]amino}carbonyl)amino]cyclohexyl}-N-methylacetamide (852660-86-7)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 18h;

Reference yield:

ethyl 3-(4-fluorophenyl)propanoate (7116-38-3) → N-{(1R,3R,4S)-4-{[[3-(4-fluorophenyl)propyl](propyl)amino]methyl}-3-[({[3-(1-methyl-1H-tetrazol-5-yl)phenyl]amino}carbonyl)amino]cyclohexyl}-N-methylacetamide (852660-85-6)

Guidance literature:

Multi-step reaction with 10 steps

1.1: sodium hydroxide; water / methanol / Heating / reflux

1.2: pH 1

2.1: borane-THF / tetrahydrofuran / 25 °C / Heating / reflux

3.1: phosphorus tribromide / chloroform / 25 °C / Heating / reflux

4.1: tetrahydrofuran / 25 °C

5.1: dichloromethane / 0.5 h / 20 °C

5.2: 16 h / 20 °C

6.1: hydrogenchloride / water; acetonitrile / 24 h / 20 °C

7.1: ethanol / 0.5 h

7.2: 72 h / 20 °C

8.1: triethylamine / dichloromethane / 16 h / 20 °C

9.1: hydrogen / palladium 10% on activated carbon / methanol / 18 h / 760.05 Torr

10.1: triethylamine / tetrahydrofuran / 18 h / 20 °C

With hydrogenchloride; sodium hydroxide; borane-THF; water; hydrogen; phosphorus tribromide; triethylamine; palladium 10% on activated carbon; In tetrahydrofuran; methanol; ethanol; dichloromethane; chloroform; water; acetonitrile;

Reference yield:

N-[3-(4-fluorophenyl)propyl]-N-methylamine (459872-39-0) → N-{(1R,3R,4S)-4-{[[3-(4-fluorophenyl)propyl](propyl)amino]methyl}-3-[({[3-(1-methyl-1H-tetrazol-5-yl)phenyl]amino}carbonyl)amino]cyclohexyl}-N-methylacetamide (852660-85-6)

Guidance literature:

Multi-step reaction with 6 steps

1.1: dichloromethane / 0.5 h / 20 °C

1.2: 16 h / 20 °C

2.1: hydrogenchloride / water; acetonitrile / 24 h / 20 °C

3.1: ethanol / 0.5 h

3.2: 72 h / 20 °C

4.1: triethylamine / dichloromethane / 16 h / 20 °C

5.1: hydrogen / palladium 10% on activated carbon / methanol / 18 h / 760.05 Torr

6.1: triethylamine / tetrahydrofuran / 18 h / 20 °C

With hydrogenchloride; hydrogen; triethylamine; palladium 10% on activated carbon; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; acetonitrile;

upstream raw materials:

C₂₀H₃₂FN₃O

[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-carbamic acid phenyl ester

N-[3-(4-fluorophenyl)propyl]-N-methylamine

ethyl 7-oxo-1,4-dioxaspiro[4.5]decane-8-carboxylate