Methanesulfonic acid 3-(3-trifluoroMethylphenyl)propyl ester

Base Information

• Chemical Name: Methanesulfonic acid 3-(3-trifluoroMethylphenyl)propyl ester
• CAS No.: 21172-43-0
• Molecular Formula: C11H13F3O3S
• Molecular Weight: 282.284
• Mol file: 21172-43-0.mol

Synonyms:Methanesulfonic acid 3-(3-trifluoroMethylphenyl)propyl ester;Cinacalcet Impurity 14

Chemical Property of Methanesulfonic acid 3-(3-trifluoroMethylphenyl)propyl ester

Chemical Property:

• Boiling Point: 365.9±42.0 °C(Predicted)
• PSA: 51.75000
• Density: 1.305±0.06 g/cm3(Predicted)
• LogP: 3.69500
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)

Purity/Quality:

NLT 98% ^*data from raw suppliers

MethanesulfonicAcid3-(3-Trifluoromethylphenyl)propylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: Methanesulfonic Acid 3-(3-Trifluoromethylphenyl)propyl Ester, is an impurity of Cinacalcet (C441800), which is a drug that acts as a calcimimetic, and is used to treat secondary hyperparathyroidism (elevated parathyroid hormone levels).

Technology Process of Methanesulfonic acid 3-(3-trifluoroMethylphenyl)propyl ester

There total 6 articles about Methanesulfonic acid 3-(3-trifluoroMethylphenyl)propyl ester 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: 100.0%

3-[3-(trifluoromethyl)phenyl]propan-1-ol (78573-45-2) + methanesulfonyl chloride (124-63-0) → methylsulfonyl-3-(3-trifluoromethylphenyl)propyl ester (21172-43-0)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

Reference yield:

3-[3-(trifluoromethyl)phenyl]propanal (21172-41-8) → methylsulfonyl-3-(3-trifluoromethylphenyl)propyl ester (21172-43-0)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether

2: Py

With pyridine; lithium aluminium tetrahydride; In diethyl ether;

DOI:10.1021/jm00312a608

Reference yield:

1,2-Dihydroxy-4-(m-trifluormethylphenyl)-butan → methylsulfonyl-3-(3-trifluoromethylphenyl)propyl ester (21172-43-0)

Guidance literature:

Multi-step reaction with 3 steps

1: Pb(OAc)4 / CH₂Cl₂

2: LiAlH₄ / diethyl ether

3: Py

With pyridine; lead(IV) acetate; lithium aluminium tetrahydride; In diethyl ether; dichloromethane;

DOI:10.1021/jm00312a608

upstream raw materials:

3-[3-(trifluoromethyl)phenyl]propan-1-ol

methanesulfonyl chloride

3-[3-(trifluoromethyl)phenyl]propanal

3-(3-trifluoromethylphenyl)propanoic acid

Downstream raw materials:

C₂₃H₂₄F₃N

cinacalcet hydrochloride

Refernces

• 1、 -. "Method for preparing cinacalcet hydrochloride". Paragraph 0031-0036. . Retrieved 2019/01/14.
• 2、 -. "Preparation method of high-purity m-trifluoromethyl phenylpropanol methanesulfonate". Paragraph 0022; 0023; 0025; 0027. . Retrieved 2018/01/09.