cinacalcet iMpurity 8

Base Information

• Chemical Name: cinacalcet iMpurity 8
• CAS No.: 1271930-15-4
• Molecular Formula: C32H31F6N
• Molecular Weight: 543.595
• Mol file: 1271930-15-4.mol

Synonyms:cinacalcet iMpurity 8;1-NaphthaleneMethanaMine, α-Methyl-N,N-bis[3-[3-(trifluoroMethyl)phenyl]propyl]-, (αR)-;(R)-N-(1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)-N-(3-(3-(trifluoromethyl)phenyl)propyl)propan-1-amine

Chemical Property of cinacalcet iMpurity 8

Chemical Property:

• Boiling Point: 552.2±50.0 °C(Predicted)
• PKA: 8.40±0.50(Predicted)
• PSA: 3.24000
• Density: 1.203±0.06 g/cm3(Predicted)
• LogP: 9.50600

Purity/Quality:

99% ^*data from raw suppliers

N-[(3-Trifluoromethyl)phenyl)propyl]Cinacalcet ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: N-[(3-Trifluoromethyl)phenyl)propyl] Cinacalcet (Cinacalcet USP Related Compound B) is an impurity of Cinacalcet Hydrochloride (C441800). Cinacalcet is used in clinical trial in secondary hyperparathyroidism.

Technology Process of cinacalcet iMpurity 8

There total 6 articles about cinacalcet iMpurity 8 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: 69.03%

cinacalcet hydrochloride (364782-34-3,1217809-88-5) + 1-(3-bromopropyl)-3- (trifluoromethyl)benzene (129254-76-8) → (R)-(1-naphthalen-1-ylethyl)-N,N-bis[3-(3-trifluoromethylphenyl)propyl]amine (1271930-15-4)

Guidance literature:

With potassium carbonate; In toluene; at 110 - 111 ℃; for 48h;

Reference yield:

(R)-1-(1-Naphthyl)ethylamine (3886-70-2) → (R)-(1-naphthalen-1-ylethyl)-N,N-bis[3-(3-trifluoromethylphenyl)propyl]amine (1271930-15-4)

Guidance literature:

Multi-step reaction with 5 steps

1.1: ethanol / 55 - 60 °C

2.1: potassium iodide / 120 - 130 °C

3.1: hydrogenchloride; water / acetonitrile / 1 h / pH 1 - 2

3.2: pH 9 - 10

4.1: hydrogenchloride / n-heptane; toluene; water / 0.5 h / 25 - 30 °C / pH 1 - 2

5.1: potassium carbonate / toluene / 48 h / 110 - 111 °C

With hydrogenchloride; water; potassium carbonate; potassium iodide; In ethanol; n-heptane; water; toluene; acetonitrile;

Reference yield:

(1R)-1-(1-naphthyl)-N-(phenylmethylene)ethanamine (154318-44-2) → (R)-(1-naphthalen-1-ylethyl)-N,N-bis[3-(3-trifluoromethylphenyl)propyl]amine (1271930-15-4)

Guidance literature:

Multi-step reaction with 4 steps

1.1: potassium iodide / 120 - 130 °C

2.1: hydrogenchloride; water / acetonitrile / 1 h / pH 1 - 2

2.2: pH 9 - 10

3.1: hydrogenchloride / n-heptane; toluene; water / 0.5 h / 25 - 30 °C / pH 1 - 2

4.1: potassium carbonate / toluene / 48 h / 110 - 111 °C

With hydrogenchloride; water; potassium carbonate; potassium iodide; In n-heptane; water; toluene; acetonitrile;

upstream raw materials:

(R)-1-(1-Naphthyl)ethylamine

1-(3-bromopropyl)-3- (trifluoromethyl)benzene

cinacalcet

cinacalcet hydrochloride

Refernces