4-Methoxy-2-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 4-Methoxy-2-(trifluoromethyl)benzaldehyde
• CAS No.: 106312-36-1
• Molecular Formula: C9H7F3O2
• Molecular Weight: 204.149
• Hs Code.: 29130000
• European Community (EC) Number: 642-627-8
• DSSTox Substance ID: DTXSID50380849
• Nikkaji Number: J3.152.609D
• Wikidata: Q72486276
• Mol file: 106312-36-1.mol

Synonyms:4-methoxy-2-(trifluoromethyl)benzaldehyde;106312-36-1;4-Methoxy-2-trifluoromethylbenzaldehyde;Benzaldehyde, 4-methoxy-2-(trifluoromethyl)-;MFCD01091011;4-Formyl-3-(trifluoromethyl)anisole;SCHEMBL321663;DTXSID50380849;AKOS005256268;AC-3855;CS-W015422;PS-8146;4-Methoxy-2-trifluoromethyl-benzaldehyde;AM20080773;FT-0642616;M2162;4-(methyloxy)-2-(trifluoromethyl)benzaldehyde;A21288;EN300-249888;A801418;J-515624;4-methoxy-2-(trifluoromethyl)benzaldehyde, AldrichCPR;Z1269202674

Chemical Property of 4-Methoxy-2-(trifluoromethyl)benzaldehyde

Chemical Property:

• Appearance/Colour: Light yellow powder
• Vapor Pressure: 0.0156mmHg at 25°C
• Melting Point: 39-41 °C
• Refractive Index: 1.475
• Boiling Point: 256.2 °C at 760 mmHg
• Flash Point: 105.6 °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
• Solubility.: soluble in Methanol
• 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:

98%,99%, ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43-36/37/38
• Safety Statements: 36/37-37-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Methoxy-2-(trifluoromethyl)benzaldehyde

There total 2 articles about 4-Methoxy-2-(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:

N-Formylpiperidine (2591-86-8) + 3-trifluoromethyl-4-bromo-1-methoxy-benzene (400-72-6) → 4-methoxy-2-(trifluoromethyl)benzaldehyde (106312-36-1)

Guidance literature:

3-trifluoromethyl-4-bromo-1-methoxy-benzene; With tert.-butyl lithium; In tetrahydrofuran; pentane; at -78 ℃; for 0.5h; Inert atmosphere;

N-Formylpiperidine; In tetrahydrofuran; pentane; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1055/s-0029-1216810

Reference yield:

N-Formylpiperidine (2591-86-8) + 3-(trifluoromethyl)anisole (454-90-0) → 4-methoxy-2-(trifluoromethyl)benzaldehyde (106312-36-1) + 2-methoxy-6-(trifluoromethyl)benzaldehyde (1017778-98-1)

Guidance literature:

With n-butyllithium; bromine; iron; Yield given. Multistep reaction; 1.) CCl₄, -60 deg C, 2 h, 2.) Et₂O, -55 deg C;

DOI:10.1021/jm00396a012

Reference yield: 91.0%

4-methoxy-2-(trifluoromethyl)benzaldehyde (106312-36-1) → 4-hydroxy-2-trifluoromethylbenzaldehyde (1243395-68-7)

Guidance literature:

4-methoxy-2-(trifluoromethyl)benzaldehyde; With boron tribromide; In dichloromethane; at -78 - 20 ℃;

With water; In dichloromethane;

upstream raw materials:

N-Formylpiperidine

3-(trifluoromethyl)anisole

3-trifluoromethyl-4-bromo-1-methoxy-benzene

Downstream raw materials:

C₃₂H₂₆F₆N₂O₄

{[4-(methyloxy)-2-(trifluoromethyl)phenyl]methyl}amine trifluoroacetate

4-hydroxy-2-trifluoromethylbenzaldehyde

5-cyano-2-fluorobenzoic acid 2-(4-methoxy-2-trifluoromethylbenzyl)hydrazide

Refernces

• 1、 Karl, Johann,Gust, Ronald,Spruss, Thilo,Schneider, Martin R.,Schoenenberg, Helmut,et al.. "Ring-Substituted y1,2-Bis(4-hydroxyphenyl)ethylenediamine>dichloroplatinum(II) Complexes: Compounds with a Selective Effect on the Hormone-Dependent Mammary Carcinoma". . p. 72 - 83. Retrieved 2007/10/02.