3-(3'-TRIFLUOROMETHYL PHENYL) PROPANOL

Base Information

• Chemical Name: 3-(3'-TRIFLUOROMETHYL PHENYL) PROPANOL
• CAS No.: 78573-45-2
• Molecular Formula: C10H11F3O
• Molecular Weight: 204.192
• Hs Code.: 2906299090
• Mol file: 78573-45-2.mol

Synonyms:3-(3'-Trifluoromethylphenyl)propan-1-ol;3-(Trifluoromethyl)benzenepropanol;3-[3-(Trifluoromethyl)phenyl]propan-1-ol;

Chemical Property of 3-(3'-TRIFLUOROMETHYL PHENYL) PROPANOL

Chemical Property:

• Appearance/Colour: brown oil
• Refractive Index: 1.4620 to 1.4660
• Boiling Point: 236.906 °C at 760 mmHg
• PKA: 15.04±0.10(Predicted)
• Flash Point: 104.666 °C
• PSA: 20.23000
• Density: 1.203 g/cm³
• LogP: 2.63030
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly)

Purity/Quality:

99% ^*data from raw suppliers

3-(Trifluoromethyl)benzenepropanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-(Trifluoromethyl)benzenepropanol-d4 is an intermediate in the synthesis of Cinacalcet-d4 Hydrochloride (C441803), a labeled analogue of Cinacalcet Hydrochloride (C441800), the (R) enantiomer of Cinacalcet which is used in clinical trial in secondary hyperparathyroidism.

Technology Process of 3-(3'-TRIFLUOROMETHYL PHENYL) PROPANOL

There total 24 articles about 3-(3'-TRIFLUOROMETHYL PHENYL) PROPANOL 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: 98.0%

methyl 3-(3-(trifluoromethyl)phenyl)propanoate (294856-02-3) → 3-[3-(trifluoromethyl)phenyl]propan-1-ol (78573-45-2)

Guidance literature:

With hydrogen; In methanol; at 160 ℃; under 150015 Torr; Product distribution / selectivity;

Reference yield: 94.0%

3-(3-trifluoromethylphenyl)propanoic acid (585-50-2) → 3-[3-(trifluoromethyl)phenyl]propan-1-ol (78573-45-2)

Guidance literature:

3-(3-trifluoromethylphenyl)propanoic acid; With borane-THF; In tetrahydrofuran; at 0 - 20 ℃; for 25h;

With water; In tetrahydrofuran; methanol;

Reference yield: 8.0%

(R)-1-(meta-trifluoromethylphenyl) 3-tosyloxy 2-propanol (154775-01-6) → meta-trifluoromethylphenyl-propane (41320-75-6) + 3-[3-(trifluoromethyl)phenyl]propan-1-ol (78573-45-2) + (S)-1-[(3′-trifluoromethyl)phenyl]-2-propanol (135561-75-0)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 21 ℃; for 3h;

DOI:10.1016/S0040-4020(01)80743-2

upstream raw materials:

3-[3-(trifluoromethyl)phenyl]propanal

3-<3-(trifluoromethyl)phenyl>prop-2-en-1-ol

2-<3-(trifluoromethyl)benzyl>oxirane

(R)-1-(meta-trifluoromethylphenyl) 3-tosyloxy 2-propanol

Downstream raw materials:

cinacalcet

cinacalcet hydrochloride

1-(3-iodopropyl)-3-(trifluoromethyl)benzene

(S)-N-(1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine

Refernces

• 1、 Nouaille, Augustin,Pannecoucke, Xavier,Poisson, Thomas,Couve-Bonnaire, Samuel. "Access to Trisubstituted Fluoroalkenes by Ruthenium-Catalyzed Cross-Metathesis". supporting information. p. 2140 - 2147. Retrieved 2021/03/06.
• 2、 Huang, Ruoyan,Chen, Xingkuan,Mou, Chengli,Luo, Guoyong,Li, Yongjia,Li, Xiangyang,Xue, Wei,Jin, Zhichao,Chi, Yonggui Robin. "Carbene-Catalyzed α-Carbon Amination of Chloroaldehydes for Enantioselective Access to Dihydroquinoxaline Derivatives". supporting information. p. 4340 - 4344. Retrieved 2019/06/14.