2-(2,2,2-Trifluoroethoxy)benzaldehyde

Base Information

• Chemical Name: 2-(2,2,2-Trifluoroethoxy)benzaldehyde
• CAS No.: 145742-43-4
• Molecular Formula: C9H7F3O2
• Molecular Weight: 204.14600
• Hs Code.: 2912490090
• European Community (EC) Number: 824-084-0
• Mol file: 145742-43-4.mol

Synonyms:2-(2,2,2-trifluoroethoxy)benzaldehyde;145742-43-4;2-(2,2,2-Trifluoroethoxy)-benzaldehyde;SCHEMBL1804090;MFCD07432791;AKOS000249693;2-(2,2.2-Trifluoroethoxy)benzaldehyde;VS-04931;CS-0217813;EN300-86018;C77904;Z324908212

Chemical Property of 2-(2,2,2-Trifluoroethoxy)benzaldehyde

Chemical Property:

• PSA: 26.30000
• LogP: 2.44020
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 204.03981395
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

98%min ^*data from raw suppliers

2-(2,2,2-trifluoroethoxy)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(2,2,2-Trifluoroethoxy)benzaldehyde

There total 5 articles about 2-(2,2,2-Trifluoroethoxy)benzaldehyde 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: 75.0%

C8H8BF12O4(1-)*Na(1+) + 2-chloro-benzaldehyde (89-98-5) → 2-(2,2.2-Trifluoroethoxy)benzaldehyde (145742-43-4)

Guidance literature:

2-chloro-benzaldehyde; With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tert-butyl XPhos; In tert-Amyl alcohol; at 20 ℃; for 0.0833333h; Inert atmosphere;

C₈H₈BF₁₂O₄^(1-)*Na⁽¹⁺⁾; In tert-Amyl alcohol; at 100 ℃; for 1h; Inert atmosphere;

DOI:10.1002/chem.201704205

Reference yield: 71.0%

2,2,2-trifluoroethanol (75-89-8) + benzaldehyde (100-52-7) → 2-(2,2.2-Trifluoroethoxy)benzaldehyde (145742-43-4)

Guidance literature:

With dipotassium peroxodisulfate; L-valine; palladium diacetate; trifluoroacetic acid; at 80 ℃; for 12h; Reagent/catalyst; Temperature; Catalytic behavior; Sealed tube;

DOI:10.1021/acs.orglett.1c00365

Reference yield: 65.0%

2,2,2-trifluoroethanol (75-89-8) + benzaldehyde (100-52-7) → 2-(2,2.2-Trifluoroethoxy)benzaldehyde (145742-43-4) + 2,6-bis(2,2,2-trifluoroethoxy)benzaldehyde

Guidance literature:

With dipotassium peroxodisulfate; L-valine; palladium diacetate; trifluoroacetic acid; at 80 ℃; for 24h; Sealed tube;

DOI:10.1021/acs.orglett.1c00365

upstream raw materials:

2-chloro-benzaldehyde

2,2,2-trifluoroethanol

benzaldehyde

Refernces

• 1、 Peth?, Bálint,Zwillinger, Márton,Csenki, János T.,Káncz, Anna E.,Krámos, Balázs,Müller, Judit,Balogh, Gy?rgy T.,Novák, Zoltán. "Palladium-Catalyzed 2,2,2-Trifluoroethoxylation of Aromatic and Heteroaromatic Chlorides Utilizing Borate Salt and the Synthesis of a Trifluoro Analogue of Sildenafil". supporting information. p. 15628 - 15632. Retrieved 2017/10/20.
• 2、 -. "Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles". . . Retrieved 2008/06/13.