2-Hydroxy-5-(trifluoromethoxy)benzaldehyde

Base Information

• Chemical Name: 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde
• CAS No.: 93249-62-8
• Molecular Formula: C8H5F3O3
• Molecular Weight: 206.121
• Hs Code.: 29130000
• European Community (EC) Number: 620-932-7
• DSSTox Substance ID: DTXSID40361440
• Nikkaji Number: J1.843.959J
• Wikidata: Q82143785
• Mol file: 93249-62-8.mol

Synonyms:2-Hydroxy-5-(trifluoromethoxy)benzaldehyde;93249-62-8;5-(Trifluoromethoxy)salicylaldehyde;MFCD00075249;Benzaldehyde, 2-hydroxy-5-(trifluoromethoxy)-;SCHEMBL1211619;5-trifluoromethoxysalicylaldehyde;5-trifluoromethoxy-salicylaldehyde;DTXSID40361440;BBL103504;STL557314;AKOS015856211;AM62568;CS-W015351;PS-8082;2-Hydroxy-5-trifluoromethoxybenzaldehyde;2-hydroxy-5-trifluoromethoxy-benzaldehyde;SY062251;FT-0612552;Benzaldehyde,2-hydroxy-5-(trifluoromethoxy)-;W16712;EN300-7376850;2-Hydroxy-5-(trifluoromethoxy)benzaldehyde, 99%;A844486;Z1269198918

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

Chemical Property:

• Appearance/Colour: White to pale yellow low melting solid
• Vapor Pressure: 0.0894mmHg at 25°C
• Melting Point: 31-33 °C(lit.)
• Refractive Index: 1.512
• Boiling Point: 217.6 °C at 760 mmHg
• PKA: 7.56±0.18(Predicted)
• Flash Point: 85.4 °C
• PSA: 46.53000
• Density: 1.473 g/cm³
• LogP: 2.10330
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 206.01907850
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC(F)(F)F)C=O)O
• Uses: 2-Hydroxy-5-(trifluoromethoxy)benzaldehyde may be used in the preparation of :2-[(E)-2-hydroxy-5-(trifluoromethoxy)benzylideneamino]-4-methylphenol(E)-2-((3-fluorophenylimino)methyl)-4-(trifluoromethoxy) phenol2-[(E)-(naphthalen-2-ylimino) methyl]-4-(trifluoromethoxy) phenol

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

There total 6 articles about 2-Hydroxy-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: 81.0%

2-methoxy-5-(trifluoromethoxy)benzaldehyde (145742-65-0) → 2-hydroxy-5-(trifluoromethoxy)benzaldehyde (93249-62-8)

Guidance literature:

With boron tribromide; In dichloromethane; at -20 - 0 ℃; for 2h; Inert atmosphere;

Reference yield: 17.0%

2-(4-trifluoromethoxy-phenoxy)-tetrahydro-pyran (896732-42-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-hydroxy-5-(trifluoromethoxy)benzaldehyde (93249-62-8)

Guidance literature:

2-(4-trifluoromethoxy-phenoxy)-tetrahydro-pyran; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine;

N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2006.03.074

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-Trifluoromethoxyphenol (828-27-3) → 2-hydroxy-5-(trifluoromethoxy)benzaldehyde (93249-62-8)

Guidance literature:

4-Trifluoromethoxyphenol; With magnesium methanolate; In methanol;

formaldehyd; In toluene;

With hydrogenchloride; In water;

DOI:10.1016/j.ejmech.2013.11.035

upstream raw materials:

2-(4-trifluoromethoxy-phenoxy)-tetrahydro-pyran

N,N-dimethyl-formamide

4-Trifluoromethoxyphenol

2-methoxy-5-(trifluoromethoxy)benzaldehyde

Downstream raw materials:

TFMSA

4-trifluoromethoxy-2-(α-hydroxyethyl)phenol

2-methoxy-5-(trifluoromethoxy)benzaldehyde

2-(1,4-dioxan-2-yloxy)-5-(trifluoromethoxy)benzaldehyde