2-Methyl-3-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 2-Methyl-3-(trifluoromethyl)benzaldehyde
• CAS No.: 878001-20-8
• Molecular Formula: C9H7 F3 O
• Molecular Weight: 188.149
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID50395473
• Wikidata: Q82195592
• Mol file: 878001-20-8.mol

Synonyms:2-methyl-3-(trifluoromethyl)benzaldehyde;878001-20-8;2-METHYL-3-TRIFLUOROMETHYLBENZALDEHYDE;Benzaldehyde, 2-methyl-3-(trifluoromethyl)-;2-Methyl-3-trifluoromethyl-benzaldehyde;SCHEMBL735425;AMY6242;DTXSID50395473;CL8291;MFCD04116032;AKOS015956846;CS-W016823;AS-46010;FT-0691769;EN300-316498;2-Methyl-3-(trifluoromethyl)benzaldehyde, AldrichCPR;Z1255373149

Chemical Property of 2-Methyl-3-(trifluoromethyl)benzaldehyde

Chemical Property:

• Boiling Point: 197.1±35.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.246±0.06 g/cm3(Predicted)
• LogP: 2.82630
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 188.04489933
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

≥99.0% ^*data from raw suppliers

2-Methyl-3-(trifluoromethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-43-36-22
• Safety Statements: 26-36/37/39-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1C(F)(F)F)C=O

Technology Process of 2-Methyl-3-(trifluoromethyl)benzaldehyde

There total 1 articles about 2-Methyl-3-(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:

2-methyl-3-trifluoromethylbenzyl alcohol (261952-12-9) → 2-methyl-3-(trifluoromethyl)benzaldehyde (878001-20-8)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; for 72h;

Reference yield: 77.5%

2-methyl-3-(trifluoromethyl)benzaldehyde (878001-20-8) + S-tert-butylsulfinimide (146374-27-8) → 2-methyl-N-(2-methyl-3-(trifluoromethyl)benzylidene)propane-2-sulfinamide

Guidance literature:

With titanium(IV) tetraethanolate; In tetrahydrofuran; at 25 ℃; for 12h;

Reference yield: 77.0%

2-methyl-3-(trifluoromethyl)benzaldehyde (878001-20-8) + malononitrile (109-77-3) → {[2-methyl-3-(trifluoromethyl)phenyl]methyl}propanedinitrile

Guidance literature:

2-methyl-3-(trifluoromethyl)benzaldehyde; malononitrile; In ethanol; at 20 ℃; for 18h;

With sodium tetrahydroborate; In ethanol; at 0 ℃; for 0.5h;

upstream raw materials:

2-methyl-3-trifluoromethylbenzyl alcohol

Downstream raw materials:

3-(2-methyl-3-(trifluoromethyl)benzyl)-5-morpholinopyrazolo[1,5-a]pyrimidin-7-ol

4-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-3-amine

4-(7-methoxy-3-(2-methyl-3-(trifluoromethyl)benzyl)pyrazolo[1,5-a]pyrimidin-5-yl)morpholine

4-(7-chloro-3-(2-methyl-3-(trifluoromethyl)benzyl)pyrazolo[1,5-a]pyrimidin-5-yl)morpholine

Refernces