Lot numbers can be found on the outside label of a product:
2-Hydroxy-3-(trifluoromethyl)benzaldehyde
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CAS No. 336628-67-2
- Cat. No. CS-W015912
- Purity≥96%
- MDL No.MFCD03788529
*For research and further manufacturing use only, not for direct human use.
Structure of 336628-67-2
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General Information
- CAS No. 336628-67-2
- Cat. No. CS-W015912
- Purity ≥96%
- MDL No. MFCD03788529
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₅F₃O₂
- Molecular Weight 190.12
- Synonym(s) 3-(Trifluoromethyl)salicylaldehyde, 3-Formyl-2-hydroxybenzotrifluoride
- SMILES O=CC1=CC=CC(C(F)(F)F)=C1O
Description
2-Hydroxy-3-(trifluoromethyl)benzaldehyde features a strategically positioned trifluoromethyl group that enhances electron deficiency and metabolic stability, while the ortho-hydroxyl enables chelation and coordination in transition metal catalysis. This bifunctional scaffold integrates readily into complex molecular architectures under standard conditions.
Application
2-Hydroxy-3-(trifluoromethyl)benzaldehyde serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzoxazole and benzothiazole scaffolds. Its ortho-hydroxyl and trifluoromethyl groups provide enhanced polarity and metabolic stability, while the aldehyde functionality supports reliable reductive amination, Ullmann coupling, and condensation reactions under standard bench conditions. The compound exhibits good bench stability and facilitates straightforward purification via crystallization or column chromatography.
Synthesis
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Route1
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68-12-2 -
149209-47-2 - ~96%
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873011-15-5
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In-stock
336628-67-2
References
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Sankyo Company, Limited Patent: EP1764075 A1, 2007 ; Location in patent: Page/Page column 84 ;
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Route2
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336628-66-1 - ~45%
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In-stock
336628-67-2
References
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Daly, Adrian M.; Renehan, Marie F.; Gilheany, Declan G. Organic Letters, 2001 , vol. 3, # 5 p. 663 - 666
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Route3
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In-stock
444-30-4 - ~%
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In-stock
336628-67-2
References
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Tetrahedron Asymmetry, , vol. 14, # 1 p. 127 - 137
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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 37.3
- LogP 2.2235
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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