3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE

Base Information

• Chemical Name: 3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE
• CAS No.: 166947-09-7
• Molecular Formula: C10H9 F3 O
• Molecular Weight: 202.176
• Hs Code.: 2913000090
• Mol file: 166947-09-7.mol

Synonyms:3-(4-Trifluoromethylphenyl)propanal;3-(4-Trifluoromethylphenyl)propionaldehyde

Chemical Property of 3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE

Chemical Property:

• Vapor Pressure: 0.137mmHg at 25°C
• Refractive Index: 1.45
• Boiling Point: 216.8°Cat760mmHg
• Flash Point: 96.4°C
• PSA: 17.07000
• Density: 1.192g/cm³
• LogP: 2.83690
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Trifluoromethylphenyl)propanal ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-(4-Trifluoromethylphenyl)propanal is an impurity of Cinacalcet (C441800), used in clinical trial in secondary hyperparathyroidism.

Technology Process of 3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE

There total 21 articles about 3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE 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: 94.0%

(E)-tert-butyl methyl(3-(4-(trifluoromethyl)phenyl)prop-1-en-1-yl)carbamate (1620683-10-4) → 3-(4-trifluoromethylphenyl)propanal (166947-09-7)

Guidance literature:

With hydrogenchloride; In diethyl ether; water; for 1h; Inert atmosphere;

DOI:10.1021/ol5018257

Reference yield: 93.9%

3-(4-(trifluoromethyl)phenyl)propanoic acid ethyl ester (82989-27-3) → 3-(4-trifluorophenyl)propionic acid ethylester + 3-(4-trifluoromethylphenyl)propanal (166947-09-7)

Guidance literature:

With diisobutylaluminium hydride; magnesium sulfate; In toluene;

Reference yield: 85.0%

2,2-diethoxy acetic acid (20461-86-3) + 1-trifluoromethyl-4-vinyl-benzene (402-50-6) → 3-(4-trifluoromethylphenyl)propanal (166947-09-7)

Guidance literature:

2,2-diethoxy acetic acid; 1-trifluoromethyl-4-vinyl-benzene; With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 2.5h; Inert atmosphere; Flow reactor; Irradiation;

With hydrogenchloride; In water; N,N-dimethyl-formamide; for 1h; Reagent/catalyst; Solvent;

DOI:10.1021/jacs.7b05082

upstream raw materials:

(E)-4-trifluoromethylcinnamyl trimethylsilyl ether

formaldehyd

1-trifluoromethyl-4-vinyl-benzene

paracetaldehyde

Downstream raw materials:

2-[2-(4-trifluoromethyl-phenyl)-ethyl]-oxirane

3-ethyl-1-iodo-8-[2-(4-trifluoromethyl-phenyl)-ethyl]-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine

1-iodo-3-isopropyl-8-[2-(4-trifluoromethylphenyl)ethyl]-5,6,7,8-tetrahydro-imidazo[1,5-a]pyrazine

1-ethyl-3-methyl-4-[2-(4-trifluoromethyl-phenyl)-ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

Refernces

• 1、 -. "DITERPENOID COMPOUNDS THAT ACT ON PROTEIN KINASE C (PKC)". . . Retrieved 2021/04/02.
• 2、 Zhang, Yang,Torker, Sebastian,Sigrist, Michel,Bregovi?, Nikola,Dydio, Pawe?. "Binuclear Pd(I)-Pd(I) Catalysis Assisted by Iodide Ligands for Selective Hydroformylation of Alkenes and Alkynes". supporting information. p. 18251 - 18265. Retrieved 2020/11/02.