3-(Trifluoromethyl)isonicotinaldehyde

Base Information

• Chemical Name: 3-(Trifluoromethyl)isonicotinaldehyde
• CAS No.: 1060801-92-4
• Molecular Formula: C₇H₄F₃NO
• Molecular Weight: 175.11
• European Community (EC) Number: 869-474-1
• DSSTox Substance ID: DTXSID701258829
• Mol file: 1060801-92-4.mol

Synonyms:3-(TRIFLUOROMETHYL)ISONICOTINALDEHYDE;1060801-92-4;3-(trifluoromethyl)pyridine-4-carbaldehyde;3-TRIFLUOROMETHYL-PYRIDINE-4-CARBALDEHYDE;SCHEMBL9274800;VUTZLVPOPGUJMR-UHFFFAOYSA-N;DTXSID701258829;MFCD09834785;AKOS022709791;AB52782;BS-14376;DB-094059;3-(Trifluoromethyl)-4-pyridinecarboxaldehyde;CS-0157351;C71242;A905597

Chemical Property of 3-(Trifluoromethyl)isonicotinaldehyde

Chemical Property:

• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 175.02449824
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1C=O)C(F)(F)F

Technology Process of 3-(Trifluoromethyl)isonicotinaldehyde

There total 5 articles about 3-(Trifluoromethyl)isonicotinaldehyde 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: 42.0%

(3-(trifluoromethyl)pyridin-4-yl)methanol (1227598-69-7) → 3-(trifluoromethyl)-4-pyridinecarboxaldehyde (1060801-92-4)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; for 4h; Reflux;

DOI:10.1016/j.bmc.2015.07.056

Reference yield:

3-(trifluoromethyl)pyridine-4-carboxylic acid → 3-(trifluoromethyl)-4-pyridinecarboxaldehyde (1060801-92-4)

Guidance literature:

Multi-step reaction with 4 steps

1: dichloromethane; N,N-dimethyl-formamide / 1 h / 25 - 30 °C

2: 1 h / 25 - 30 °C

3: sodium tetrahydroborate / methanol / 16 h / 0 - 20 °C

4: manganese(IV) oxide / dichloromethane / 8 h / 45 °C

With manganese(IV) oxide; sodium tetrahydroborate; In methanol; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

3-(trifluoromethyl)isonicotinoyl chloride (1282541-17-6) → 3-(trifluoromethyl)-4-pyridinecarboxaldehyde (1060801-92-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 1 h / 25 - 30 °C

2: sodium tetrahydroborate / methanol / 16 h / 0 - 20 °C

3: manganese(IV) oxide / dichloromethane / 8 h / 45 °C

With manganese(IV) oxide; sodium tetrahydroborate; In methanol; dichloromethane;

upstream raw materials:

(3-(trifluoromethyl)pyridin-4-yl)methanol

3-(trifluoromethyl)isonicotinoyl chloride

methyl 3-(trifluoromethyl)isonicotinate