Lot numbers can be found on the outside label of a product:
2-Chloro-6-(trifluoromethyl)nicotinaldehyde
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CAS No. 944900-06-5
- Cat. No. CS-0040381
- Purity≥97%
- MDL No.MFCD09907845
*For research and further manufacturing use only, not for direct human use.
Structure of 944900-06-5
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General Information
- CAS No. 944900-06-5
- Cat. No. CS-0040381
- Purity ≥97%
- MDL No. MFCD09907845
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₃ClF₃NO
- Molecular Weight 209.55
- Synonym(s) 2-CHLORO-6-TRIFLUOROMETHYL-PYRIDINE-3-CARBALDEHYDE
- SMILES O=CC1=CC=C(C(F)(F)F)N=C1Cl
Description
2-Chloro-6-(trifluoromethyl)nicotinaldehyde features a trifluoromethyl group that enhances electron-withdrawal and metabolic stability, while the chloro substituent fine-tunes reactivity. This aldehyde serves as a key building block in medicinal chemistry, enabling direct coupling reactions under mild conditions. The molecule exhibits excellent bench stability and compatibility with diverse synthetic transformations.
Application
2-Chloro-6-(trifluoromethyl)nicotinaldehyde serves as a versatile building block in medicinal chemistry, enabling efficient construction of heterocyclic scaffolds via condensation and cyclization reactions. Its electron-deficient pyridine core enhances reactivity in nucleophilic additions, while the trifluoromethyl group imparts metabolic stability and modulates lipophilicity. Bench-stable and readily purified by distillation, it facilitates scalable synthesis of bioactive intermediates for drug discovery programs.
Synthesis
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Route1
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In-stock
386704-06-9 - ~32%
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In-stock
944900-06-5
References
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ARRAY BIOPHARMA INC.; COOK, Adam; HUNT, Kevin, W.; DELISLE, Robert Kirk; ROMOFF, Todd; CLARK, Christopher, T.; KIM, Ganghyeok; CORRETTE, Christopher, P.; DOHERTY, George, A.; BURGESS, Laurence, E. Patent: WO2010/75200 A1, 2010 ; Location in patent: Page/Page column 141 ; WO 2010/075200 A1
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Route2
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In-stock
39890-95-4 -
68-12-2 - ~95%
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In-stock
944900-06-5
References
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Matsufuji, Tetsuyoshi; Shimada, Kousei; Kobayashi, Shozo; Kawamura, Asuka; Fujimoto, Teppei; Arita, Tsuyoshi; Hara, Takashi; Konishi, Masahiro; Abe-Ohya, Rie; Izumi, Masanori; Sogawa, Yoshitaka; Nagai, Youko; Yoshida, Kazuhiro; Takahashi, Hisashi Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 3 p. 750 - 755
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Route3
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In-stock
39890-95-4
- ~%
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In-stock
944900-06-5
References
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BAYER INTELLECTUAL PROPERTY GMBH; GREUL, Jörg, Nico; MANSFIELD, Darren; FÜSSLEIN, Martin; RIECK, Heiko; RIEDRICH, Matthias; RODEFELD, Lars; KATHER, Kristian; MALSAM, Olga; LÖSEL, Peter; VOERSTE, Arnd; SCHWARZ, Hans-Georg; ILG, Kerstin; GÖRGENS, Ulrich; CARLES, Lionel; COQUERON, Pierrre-Yves; DESBORDES, Philippe; MERESSE, Philippe Patent: WO2013/64460 A1, 2013 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 29.96
- LogP 2.5663
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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