2-Oxo-2-(4-(trifluoromethyl)phenyl)acetaldehyde

Base Information

• Chemical Name: 2-Oxo-2-(4-(trifluoromethyl)phenyl)acetaldehyde
• CAS No.: 101906-05-2
• Molecular Formula: C9H7 F3 O3
• Molecular Weight: 220.148
• Hs Code.: 2912190090
• DSSTox Substance ID: DTXSID80906793
• Nikkaji Number: J2.214.555J
• Wikidata: Q82875612
• Mol file: 101906-05-2.mol

Synonyms:1736-56-7;2-Oxo-2-(4-(trifluoromethyl)phenyl)acetaldehyde;2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde;Benzeneacetaldehyde, alpha-oxo-4-(trifluoromethyl)-;oxo[4-(trifluoromethyl)phenyl]acetaldehyde;2-oxidanylidene-2-[4-(trifluoromethyl)phenyl]ethanal;SCHEMBL294902;DTXSID80906793;AKOS016001145;4-(Trifluoromethyl)phenylglyoxalhydrate;AS-67572;(4-trifluoromethylphenyl)(oxo)acetaldehyde;CS-0260201;FT-0647467;1-[4-(Trifluoromethyl)phenyl]-1,2-ethanedione;EN300-7466608;A800483;A811542;Z1269154151

Chemical Property of 2-Oxo-2-(4-(trifluoromethyl)phenyl)acetaldehyde

Chemical Property:

• Vapor Pressure: 0.0971mmHg at 25°C
• Boiling Point: 223.3 °C at 760 mmHg
• Flash Point: 84.1 °C
• PSA: 57.53000
• Density: 1.331 g/cm³
• LogP: 1.19880
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 202.02416388
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

98%min ^*data from raw suppliers

4-Trifluoromethylphenylglyoxal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C=O)C(F)(F)F

Technology Process of 2-Oxo-2-(4-(trifluoromethyl)phenyl)acetaldehyde

There total 1 articles about 2-Oxo-2-(4-(trifluoromethyl)phenyl)acetaldehyde 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:

1-(4-trifluoromethylphenyl)ethanone (709-63-7) → 2,2-dihydroxy-1-[4-(trifluoromethyl)phenyl]ethanone (101906-05-2)

Guidance literature:

With selenium(IV) oxide; water; In 1,4-dioxane;

DOI:10.1016/j.jfluchem.2010.07.012

Reference yield: 99.0%

2,4-dimethyl-3-pentanol (600-36-2) + 2,2-dihydroxy-1-[4-(trifluoromethyl)phenyl]ethanone (101906-05-2) → C16H21F3O3

Guidance literature:

With C₂₃H₃₉N₃O₃; copper(II) bis(trifluoromethanesulfonate); In dichloromethane; at 20 ℃; for 3h; enantioselective reaction; Inert atmosphere; Molecular sieve; Schlenk technique;

DOI:10.1021/ja409859x

Reference yield: 99.0%

2,2-dihydroxy-1-[4-(trifluoromethyl)phenyl]ethanone (101906-05-2) + tert-butyl alcohol (75-65-0) → (S)-tert-butyl α-hydroxy-α-(4-(trifluoromethyl)phenyl)acetate (1361384-65-7)

Guidance literature:

With iron(III) chloride; C₄₃H₆₄N₄O₄; oxygen; In dichloromethane; at 30 ℃; for 24h; enantioselective reaction; Molecular sieve;

DOI:10.1039/c5cc04213e

upstream raw materials:

1-(4-trifluoromethylphenyl)ethanone

Downstream raw materials:

ethyl (2R,3S)-1-(4-methoxyphenyl)-3-(4-(trifluoromethyl)benzoyl)aziridine-2-carboxylate

1,6-dimethyl-3-(4-(trifluoromethyl)phenyl)pyrimido[4,5-c]pyridazine-5,7(1H,6H)-dione

C₁₅H₁₁F₃N₄O₂

2-(isopropylimino)-1-[4'-(trifluoromethyl)phenyl]ethanone

Refernces

• 1、 Obijalska, Emilia,Kowalski, Marcin K.,Mlostoń, Grzegorz,Linden, Anthony,Heimgartner, Heinz. "Chemoselective trifluoromethylation of the C=N group of α-iminoketones derived from arylglyoxals". . p. 151 - 157. Retrieved 2014.
• 2、 Wu, Wangbin,Zou, Sijia,Lin, Lili,Ji, Jie,Zhang, Yuheng,Ma, Baiwei,Liu, Xiaohua,Feng, Xiaoming. "Catalytic asymmetric Meerwein-Ponndorf-Verley reduction of glyoxylates induced by a chiral N,N′-dioxide/Y(OTf)3 complex". supporting information. p. 3232 - 3235. Retrieved 2017/03/20.