5-(Trifluoromethyl)nicotinaldehyde

Base Information

Chemical Name:5-(Trifluoromethyl)nicotinaldehyde
CAS No.:131747-67-6
Molecular Formula:C₇H₄F₃NO
Molecular Weight:175.11
Hs Code.:2933399090
European Community (EC) Number:865-457-8
DSSTox Substance ID:DTXSID30563714
Wikidata:Q82448192
Mol file:131747-67-6.mol

Synonyms:131747-67-6;5-(TRIFLUOROMETHYL)NICOTINALDEHYDE;5-(TRIFLUOROMETHYL)PYRIDINE-3-CARBALDEHYDE;5-TRIFLUOROMETHYL-PYRIDINE-3-CARBALDEHYDE;3-Pyridinecarboxaldehyde, 5-(trifluoromethyl)-;SCHEMBL434088;DTXSID30563714;AKOS006305306;AB56905;AC-29120;BS-20654;CS-0112265;O11314;EN300-3045584;Z1198276269

Suppliers and Price of 5-(Trifluoromethyl)nicotinaldehyde

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Labseeker
5-Trifluoromethyl-pyridine-3-carbaldehyde 95
1g
$ 955.00

Labseeker
5-Trifluoromethyl-pyridine-3-carbaldehyde 95
5g
$ 1399.00

Crysdot
5-(Trifluoromethyl)nicotinaldehyde 95+%
25g
$ 1870.00

Crysdot
5-(Trifluoromethyl)nicotinaldehyde 95+%
10g
$ 1037.00

Crysdot
5-(Trifluoromethyl)nicotinaldehyde 95+%
5g
$ 774.00

Crysdot
5-(Trifluoromethyl)nicotinaldehyde 95+%
1g
$ 359.00

Apolloscientific
5-(Trifluoromethyl)nicotinaldehyde
5g
$ 800.00

Apolloscientific
5-(Trifluoromethyl)nicotinaldehyde
1g
$ 250.00

AccelPharmtech
5-(trifluoromethyl)-3-Pyridinecarboxaldehyde 97.00%
25G
$ 9110.00

AccelPharmtech
5-(trifluoromethyl)-3-Pyridinecarboxaldehyde 97.00%
5G
$ 4850.00

Total 16 raw suppliers

Chemical Property of 5-(Trifluoromethyl)nicotinaldehyde

Chemical Property:

Refractive Index:1.476
PSA：29.96000
LogP:1.91290
Storage Temp.:2-8°C
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

5-Trifluoromethyl-pyridine-3-carbaldehyde 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=NC=C1C(F)(F)F)C=O

Technology Process of 5-(Trifluoromethyl)nicotinaldehyde

There total 4 articles about 5-(Trifluoromethyl)nicotinaldehyde 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: 52.0%

: 131747-59-6
(5-(trifluoromethyl)pyridin-3-yl)methanol

: 131747-67-6
5-(trifluoromethyl)nicotinaldehyde

Guidance literature:: With phosphoric acid; dimethyl sulfoxide; dicyclohexyl-carbodiimide; for 1.5h; Ambient temperature;
DOI:10.1248/cpb.38.2446

Reference yield:

: 113118-81-3
5-bromopyridine-3-carbaldehyde

: (1,10-phenanthroline)(trifluoromethyl)copper (I)

: 131747-67-6
5-(trifluoromethyl)nicotinaldehyde

Guidance literature:: In N,N-dimethyl-formamide; at 100 ℃; for 8h; Sealed tube; Inert atmosphere;
DOI:10.1021/ol500422t

Reference yield:

: 131747-40-5
5-(trifluoromethyl)pyridine-3-carboxylic acid

: 131747-67-6
5-(trifluoromethyl)nicotinaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 1) NEt₃, ethyl chloroformate, 2) LiAlH₄ / 1) benzene, rt, 1 h, 2) THF, -78 deg C, 30 min

2: 52 percent / DMSO, N,N'-dicyclohexylcarbodiimide, H₃PO₄ / 1.5 h / Ambient temperature

With lithium aluminium tetrahydride; phosphoric acid; chloroformic acid ethyl ester; dimethyl sulfoxide; triethylamine; dicyclohexyl-carbodiimide;
DOI:10.1248/cpb.38.2446