3,4-Dimethoxy-2-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 3,4-Dimethoxy-2-(trifluoromethyl)benzaldehyde
• CAS No.: 138490-96-7
• Molecular Formula: C10H9F3O3
• Molecular Weight: 234.175
• DSSTox Substance ID: DTXSID30459845
• Nikkaji Number: J2.027.381J
• Wikidata: Q82283709
• Mol file: 138490-96-7.mol

Synonyms:3,4-dimethoxy-2-(trifluoromethyl)benzaldehyde;138490-96-7;Benzaldehyde, 3,4-dimethoxy-2-(trifluoromethyl)-;SCHEMBL6149994;DTXSID30459845;RVBGIIWJLAXZGT-UHFFFAOYSA-N;MFCD14705135;AKOS016002210;SB85352;DS-14819;CS-0328812

Chemical Property of 3,4-Dimethoxy-2-(trifluoromethyl)benzaldehyde

Chemical Property:

• Boiling Point: 301.3±42.0 °C(Predicted)
• PSA: 35.53000
• Density: 1.282±0.06 g/cm3(Predicted)
• LogP: 2.53510
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 234.05037863
• Heavy Atom Count: 16
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dimethoxy-2-(Trifluoromethyl)Benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Dimethoxy-2-(trifluoromethyl)benzaldehyde

There total 3 articles about 3,4-Dimethoxy-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: 40.0%

2-iodo-3,4-dimethoxybenzaldehyde (138490-95-6) + sodium 2,2,2-trifluoroacetate (2923-18-4) → 3,4-dimethoxy-2-(trifluoromethyl)benzaldehyde (138490-96-7)

Guidance literature:

With copper(l) iodide; In various solvent(s); at 175 ℃; for 4h;

DOI:10.1021/jm00081a007

Reference yield:

isovanillin (621-59-0) → 3,4-dimethoxy-2-(trifluoromethyl)benzaldehyde (138490-96-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 69.3 percent / iodine monochloride; pyridine / dioxane / 0 - 20 °C

2: 72.2 percent / K₂CO₃ / acetone / 6 h / Heating

3: 25.1 percent / N-methyl-2-pyrrolidinone; CuI / 4 h / 175 °C

With pyridine; 1-methyl-pyrrolidin-2-one; copper(l) iodide; Iodine monochloride; potassium carbonate; In 1,4-dioxane; acetone;

DOI:10.1016/j.tetlet.2004.02.040

Reference yield:

2-iodoisovanillin (138490-94-5) → 3,4-dimethoxy-2-(trifluoromethyl)benzaldehyde (138490-96-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 72.2 percent / K₂CO₃ / acetone / 6 h / Heating

2: 25.1 percent / N-methyl-2-pyrrolidinone; CuI / 4 h / 175 °C

With 1-methyl-pyrrolidin-2-one; copper(l) iodide; potassium carbonate; In acetone;

DOI:10.1016/j.tetlet.2004.02.040

upstream raw materials:

2-iodo-3,4-dimethoxybenzaldehyde

sodium 2,2,2-trifluoroacetate

isovanillin

2-iodoisovanillin

Downstream raw materials:

(1S)-3,4-dimethoxy-2-tifluoromethyl-1-((trimethylsilyl)oxy)phenylacetonitrile

(S)-1-(3,4-dimethoxy-2-trifluoromethylphenyl)-2-methylaminoethanol

(R)-1-(3,4-dimethoxy-2-trifluoromethylphenyl)-2-methylaminoethanol

1-N-[2-(3,4-dimethoxy-2-trifluoromethylphenyl)-2-hydroxyethyl]formamide

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