2-Methoxy-5-(trifluoromethoxy)benzaldehyde

Base Information

• Chemical Name: 2-Methoxy-5-(trifluoromethoxy)benzaldehyde
• CAS No.: 145742-65-0
• Molecular Formula: C9H7F3O3
• Molecular Weight: 220.148
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID40382610
• Nikkaji Number: J1.811.835A
• Wikidata: Q72486248
• Mol file: 145742-65-0.mol

Synonyms:2-Methoxy-5-(trifluoromethoxy)benzaldehyde;145742-65-0;MFCD04115958;2-Formyl-4-(trifluoromethoxy)anisole;Benzaldehyde, 2-methoxy-5-(trifluoromethoxy)-;2-Methoxy-5-trifluoromethoxy-benzaldehyde;SCHEMBL1985337;DTXSID40382610;CK2085;AKOS005063511;PS-7870;2-methoxy-5-trifluoromethoxybenzaidehyde;2-methoxy-5-trifluoromethoxybenzaldehyde;2-methoxy-5-trifluoromethoxy benzaldehyde;5-O-TERT-BUTYLDIMETHYLSILYL-THYMIDINE;CS-0081158;FT-0643385;M1945;EN300-7383732;A808408;J-509821

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

Chemical Property:

• Appearance/Colour: Light yellow powder
• Vapor Pressure: 0.025mmHg at 25°C
• Melting Point: 20-25℃
• Refractive Index: 1.477
• Boiling Point: 247.9 °C at 760 mmHg
• Flash Point: 100.7 °C
• PSA: 35.53000
• Density: 1.33 g/cm³
• LogP: 2.40630
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 220.03472857
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 9 articles about 2-Methoxy-5-(trifluoromethoxy)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: 93.0%

dichloromethyl propyl ether (65611-08-7) + 1-methoxy-4-(trifluoromethoxy)benzene (710-18-9) → 2-methoxy-5-(trifluoromethoxy)benzaldehyde (145742-65-0)

Guidance literature:

With iron(III) chloride; In dichloromethane; at 20 ℃; for 2.16667h; Reagent/catalyst; Cooling with ice;

DOI:10.1248/cpb.c19-00176

Reference yield: 93.0%

2-hydroxy-5-(trifluoromethoxy)benzaldehyde (93249-62-8) + methyl iodide (74-88-4) → 2-methoxy-5-(trifluoromethoxy)benzaldehyde (145742-65-0)

Guidance literature:

2-hydroxy-5-(trifluoromethoxy)benzaldehyde; With potassium carbonate; In DMF (N,N-dimethyl-formamide); for 0.5h;

methyl iodide; In DMF (N,N-dimethyl-formamide);

Reference yield: 91.0%

1-methoxy-4-(trifluoromethoxy)benzene (710-18-9) → 2-methoxy-5-(trifluoromethoxy)benzaldehyde (145742-65-0)

Guidance literature:

With sodium hydroxide; hexamethylenetetramine; trifluoroacetic acid; In dichloromethane; water;

upstream raw materials:

1-methoxy-4-(trifluoromethoxy)benzene

trifluoroacetic acid

hexamethylenetetramine

2-hydroxy-5-(trifluoromethoxy)benzaldehyde

Downstream raw materials:

(2S,3S)-3-(2-methoxy-5-trifluoromethoxybenzyl)-amino-2-phenylpiperidine

tert-butyl (2S,3S)-3-{[2-methoxy-5-(trifluoromethoxy)benzyl]amino}-2-phenyl-1-piperidinecarboxylate

(2-methoxy-5-trifluoromethoxy-phenyl)-methanol

isopropyl-(2-methoxy-5-trifluoromethoxy-benzyl)-amine

Refernces

• 1、 -. "BENZO-FUSED HETEROCYCLIC DERIVATIVES USEFUL AS AGONISTS OF GPR120". Paragraph 0841. . Retrieved 2014/09/30.
• 2、 -. "NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE". Page 70. . Retrieved 2010/02/08.