2-Methoxy-5-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 2-Methoxy-5-(trifluoromethyl)benzaldehyde
• CAS No.: 146539-83-5
• Molecular Formula: C9H7F3O2
• Molecular Weight: 204.149
• Hs Code.: 2913000090
• European Community (EC) Number: 642-581-9
• DSSTox Substance ID: DTXSID10381357
• Nikkaji Number: J531.426G
• Wikidata: Q72486269
• Mol file: 146539-83-5.mol

Synonyms:2-Methoxy-5-(trifluoromethyl)benzaldehyde;146539-83-5;2-methoxy-5-trifluoromethylbenzaldehyde;Benzaldehyde, 2-methoxy-5-(trifluoromethyl)-;2-Methoxy-5-trifluoromethyl-benzaldehyde;MFCD03788528;SCHEMBL1186123;DTXSID10381357;CL8290;AKOS005257254;AB16026;AM84042;CS-W015427;AS-46009;Benzaldehyde,2-methoxy-5-(trifluoromethyl)-;FT-0600817;EN300-1725372;2-methoxy-5-(trifluoromethyl)benzaldehyde, AldrichCPR;Z1269193206

Chemical Property of 2-Methoxy-5-(trifluoromethyl)benzaldehyde

Chemical Property:

• Appearance/Colour: Light yellow powder
• Vapor Pressure: 0.0446mmHg at 25°C
• Melting Point: 85-89 °C
• Refractive Index: 1.475
• Boiling Point: 237.5 °C at 760 mmHg
• Flash Point: 94.7 °C
• PSA: 26.30000
• Density: 1.287 g/cm³
• LogP: 2.52650
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 204.03981395
• Heavy Atom Count: 14
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

2-Methoxy-5-(trifluoromethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C(F)(F)F)C=O

Technology Process of 2-Methoxy-5-(trifluoromethyl)benzaldehyde

There total 7 articles about 2-Methoxy-5-(trifluoromethyl)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: 68.0%

C20H11F4O2S2(1+)*BF4(1-) + trifluoromethylcopper(I) (77152-08-0) → 2-methoxy-5-(trifluoromethyl)benzaldehyde (146539-83-5)

Guidance literature:

With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In acetonitrile; at 30 ℃; for 3h; Sealed tube; Irradiation;

DOI:10.1002/anie.201906672

Reference yield:

4-Trifluoromethoxyphenol (828-27-3) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-methoxy-5-(trifluoromethyl)benzaldehyde (146539-83-5)

Guidance literature:

4-Trifluoromethoxyphenol; With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; pentane;

Reference yield:

2-fluoro-5-trifluoromethylbenzaldehyde (146137-78-2) → 2-methoxy-5-(trifluoromethyl)benzaldehyde (146539-83-5)

Guidance literature:

With sodium methylate; acetic acid; In water;

upstream raw materials:

N-Formylpiperidine

methyl 4-(trifluoromethyl)phenyl ether

4-hydroxybenzotrifluoride

2-fluoro-5-trifluoromethylbenzaldehyde