3-(2-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE

Base Information

• Chemical Name: 3-(2-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE
• CAS No.: 376641-58-6
• Molecular Formula: C10H9 F3 O
• Molecular Weight: 202.17
• Mol file: 376641-58-6.mol

Synonyms:3-(2-Trifluoromethylphenyl)propanal

Chemical Property of 3-(2-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE

Chemical Property:

• Vapor Pressure: 0.245mmHg at 25°C
• Refractive Index: 1.45
• Boiling Point: 205.856°C at 760 mmHg
• Flash Point: 92.577°C
• PSA: 17.07000
• Density: 1.192g/cm³
• LogP: 2.83690

Purity/Quality:

98%Min ^*data from raw suppliers

2-(Trifluoromethyl)-Benzenepropanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-(Trifluoromethyl)-Benzenepropanal is an impurity of Cinacalcet (C441800), used in clinical trial in secondary hyperparathyroidism.

Technology Process of 3-(2-TRIFLUOROMETHYL-PHENYL)-PROPIONALDEHYDE

There total 8 articles about 3-(2-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: 96.6%

3-(2-(trifluoromethyl)phenyl)propan-1-ol (191155-81-4) → 3-(2-(trifluoromethyl)phenyl)propanal (376641-58-6)

Guidance literature:

Reference yield: 45.0%

2-iodo(trifluoromethyl)benzene (444-29-1) + allyl alcohol (107-18-6) → 3-(2-(trifluoromethyl)phenyl)propanal (376641-58-6)

Guidance literature:

With palladium diacetate; benzyltrimethylammonium chloride; sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 50 ℃; for 4h; Inert atmosphere;

DOI:10.1021/jacs.0c01330

Reference yield:

carbon monoxide (201230-82-2) + o-(trifluoromethyl)styrene (395-45-9) → 3-(2-(trifluoromethyl)phenyl)propanal (376641-58-6) + 2-(2-trifluoromethylphenyl)propanal (21235-72-3)

Guidance literature:

With dicarbonyl(acetylacotonato)rhodium(I); C₇₅H₅₄N₄O₈P₂; hydrogen; In dichloromethane; at 20 ℃; for 24h; under 15001.5 Torr; Time; regioselective reaction; Autoclave;

DOI:10.1002/anie.201209582

upstream raw materials:

3-(2-(trifluoromethyl)phenyl)propan-1-ol

carbon monoxide

o-(trifluoromethyl)styrene

2-iodo(trifluoromethyl)benzene

Downstream raw materials:

7-(2-trifluoromethylphenyl)-2,5-heptanedione

1-(but-3-en-1-yl)-2-(trifluoromethyl)benzene

Refernces

• 1、 Chen, Pan-Pan,Hong, Xin,Jarvo, Elizabeth R.,McGinnis, Tristan M.,Sanford, Amberly B.,Thane, Taylor A.. "Nickel-Catalyzed Alkyl-Alkyl Cross-Electrophile Coupling Reaction of 1,3-Dimesylates for the Synthesis of Alkylcyclopropanes". supporting information. . Retrieved 2020/03/23.
• 2、 Qu, Bo,Tan, Renchang,Herling, Madison R.,Haddad, Nizar,Grinberg, Nelu,Kozlowski, Marisa C.,Zhang, Xumu,Senanayake, Chris H.. "Enantioselective Synthesis of 4-Methyl-3,4-dihydroisocoumarin via Asymmetric Hydroformylation of Styrene Derivatives". . p. 4915 - 4920. Retrieved 2019/03/19.