Lot numbers can be found on the outside label of a product:
4-(morpholinomethyl)-3-(trifluoromethyl)aniline
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CAS No. 694499-30-4
- Cat. No. CS-W000764
- Purity≥97%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 694499-30-4
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General Information
- CAS No. 694499-30-4
- Cat. No. CS-W000764
- Purity ≥97%
- MDL No. None
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₅F₃N₂O
- Molecular Weight 260.26
- Synonym(s) 4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)aniline
- SMILES FC(F)(F)C1=C(CN2CCOCC2)C=CC(N)=C1
Description
4-(morpholinomethyl)-3-(trifluoromethyl)aniline features a trifluoromethyl group at the meta position and a morpholinomethyl substituent at the para position relative to the amine, creating a uniquely electron-deficient aromatic core with enhanced solubility and metabolic stability. This combination enables direct incorporation into bioactive scaffolds for kinase inhibitor development and pharmaceutical lead optimization.
Application
4-(Morpholinomethyl)-3-(trifluoromethyl)aniline serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles through standard coupling and cyclization protocols. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the morpholinomethyl moiety provides a handle for further functionalization. The compound exhibits good bench stability and compatibility with common reaction conditions, facilitating efficient purification and integration into complex molecular architectures.
Synthesis
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Route1
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919278-28-7 - ~99%
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In-stock
694499-30-4
References
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Oguro, Yuya; Miyamoto, Naoki; Takagi, Terufumi; Okada, Kengo; Awazu, Yoshiko; Miki, Hiroshi; Hori, Akira; Kamiyama, Keiji; Imamura, Shinichi Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 20 p. 7150 - 7163
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Route2
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694499-28-0
- ~%
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In-stock
694499-30-4
References
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Huang, Wei-Sheng; Metcalf, Chester A.; Sundaramoorthi, Raji; Wang, Yihan; Zou, Dong; Thomas, R. Mathew; Zhu, Xiaotian; Cai, Lisi; Wen, David; Liu, Shuangying; Romero, Jan; Qi, Jiwei; Chen, Ingrid; Banda, Geetha; Lentini, Scott P.; Das, Sasmita; Xu, Qihong; Keats, Jeff; Wang, Frank; Wardwell, Scott; Ning, Yaoyu; Snodgrass, Joseph T.; Broudy, Marc I.; Russian, Karin; Zhou, Tianjun; Commodore, Lois; Narasimhan, Narayana I.; Mohemmad, Qurish K.; Iuliucci, John; Rivera, Victor M.; Dalgarno, David C.; Sawyer, Tomi K.; Clackson, Tim; Shakespeare, William C. Journal of Medicinal Chemistry, 2010 , vol. 53, # 12 p. 4701 - 4719
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Route3
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In-stock
65934-74-9 - ~%
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In-stock
694499-30-4
References
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Li, Yupeng; Shen, Mengjie; Zhang, Zhang; Luo, Jinfeng; Pan, Xiaofen; Lu, Xiaoyun; Long, Huoyou; Wen, Donghai; Zhang, Fengxiang; Leng, Fang; Li, Yingjun; Tu, Zhengchao; Ren, Xiaomei; Ding, Ke Journal of Medicinal Chemistry, 2012 , vol. 55, # 22 p. 10033 - 10046
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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-H320-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 38.49
- LogP 2.1198
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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