4-(Trifluoromethyl)pyridine-2-carbaldehyde

Base Information

• Chemical Name: 4-(Trifluoromethyl)pyridine-2-carbaldehyde
• CAS No.: 132470-83-8
• Molecular Formula: C₇H₄F₃NO
• Molecular Weight: 175.11
• Hs Code.: 2933399990
• European Community (EC) Number: 692-907-9
• DSSTox Substance ID: DTXSID10563712
• Wikidata: Q82448191
• Mol file: 132470-83-8.mol

Synonyms:132470-83-8;4-(trifluoromethyl)picolinaldehyde;4-(trifluoromethyl)pyridine-2-carbaldehyde;4-TRIFLUOROMETHYL-PYRIDINE-2-CARBALDEHYDE;2-Pyridinecarboxaldehyde, 4-(trifluoromethyl)-;SCHEMBL2082377;AMY3178;DTXSID10563712;MFCD11848102;AKOS015991235;AB64769;AG-0706;AC-29112;CS-0444414;F51060;EN300-4266036;4-(TRIFLUOROMETHYL)-2-PYRIDINECARBALDEHYDE;4-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXALDEHYDE;J-513929;Z1255462250

Chemical Property of 4-(Trifluoromethyl)pyridine-2-carbaldehyde

Chemical Property:

• Refractive Index: 1.476
• Boiling Point: 194.351 °C at 760 mmHg
• PKA: 0.54±0.10(Predicted)
• Flash Point: 71.341 °C
• PSA: 29.96000
• Density: 1.37 g/cm³
• LogP: 1.91290
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.5
• 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:

99% ^*data from raw suppliers

4-(Trifluoromethyl)picolinaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Trifluoromethyl)pyridine-2-carbaldehyde

There total 8 articles about 4-(Trifluoromethyl)pyridine-2-carbaldehyde 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: 71.0%

→ 4-(trifluoromethyl)pyridine-2-carbaldehyde (132470-83-8)

Guidance literature:

With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; at -65 - -60 ℃; for 1.5h; Inert atmosphere;

Reference yield: 25.0%

(4-trifluoromethyl-pyridin-2-yl)-methanol (131747-46-1) → 4-(trifluoromethyl)pyridine-2-carbaldehyde (132470-83-8)

Guidance literature:

With phosphoric acid; dimethyl sulfoxide; dicyclohexyl-carbodiimide; for 1.5h; Ambient temperature;

DOI:10.1248/cpb.38.2446

Reference yield: 22.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 2-bromo-4-(trifluoromethyl)pyridine (175205-81-9) → 4-(trifluoromethyl)pyridine-2-carbaldehyde (132470-83-8)

Guidance literature:

With n-butyllithium; In diethyl ether; at -70 - 23 ℃; for 3.58333h;

upstream raw materials:

(4-trifluoromethyl-pyridin-2-yl)-methanol

2-chloro-4-trifluoromethyl pyridine

4-Trifluoromethyl-2-picoline-N-oxide

[4-(trifluoromethyl)pyridin-2-yl]methyl acetate

Downstream raw materials:

2,6-dimethyl-4-(4-trifluoromethyl-2-pyridyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-β-(N-benzyl-N-methylamino)ethyl ester 5-methyl ester

(4-trifluoromethyl-pyridin-2-yl)-methanol

2-(chloromethyl)-4-(trifluoromethyl)pyridine

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