Lot numbers can be found on the outside label of a product:
2,4-Dimethylbenzylamine
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CAS No. 94-98-4
- Cat. No. CS-W001690
- Purity≥97%
- MDL No.MFCD00025575
*For research and further manufacturing use only, not for direct human use.
Structure of 94-98-4
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General Information
- CAS No. 94-98-4
- Cat. No. CS-W001690
- Purity ≥97%
- MDL No. MFCD00025575
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₃N
- Molecular Weight 135.21
- Synonym(s) 1-(2,4-dimethylphenyl)methanamine
- SMILES CC1=CC(C)=C(CN)C=C1
Description
2,4-Dimethylbenzylamine features a benzylamine core with methyl groups at the 2- and 4-positions, enhancing steric shielding and electronic stability. This configuration imparts improved solubility in organic media and resistance to oxidation during handling. The compound serves as a robust building block for synthesizing bioactive molecules, particularly in medicinal chemistry and agrochemical development, where its tailored reactivity streamlines coupling reactions under mild conditions.
Application
2,4-Dimethylbenzylamine serves as a versatile building block in medicinal chemistry, offering enhanced lipophilicity and metabolic stability compared to unsubstituted analogs. Its ortho-methyl groups provide steric shielding, improving bench stability and reducing unwanted side reactions. The primary amine enables straightforward derivatization via amide coupling, reductive amination, or alkylation, facilitating access to diverse target molecules. Functions effectively in both solution-phase and solid-phase synthesis, particularly valuable for constructing kinase inhibitors and GPCR-targeted scaffolds.
Synthesis
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Route1
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In-stock
21789-36-6 - ~97%
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In-stock
94-98-4
References
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Tachdjian, Catherine; Patron, Andrew P.; Adamski-Werner, Sara L.; Bakir, Farid; Chen, Qing; Darmohusodo, Vincent; Hobson, Stephen Terrence; Li, Xiaodong; Qi, Ming; Rogers, Daniel Harry; Rinnova, Marketa; Servant, Guy; Tang, Xiao-Qing; Zoller, Mark; Wallace, David; Xing, Amy; Gubernator, Klaus Patent: US2005/84506 A1, 2005 ; Location in patent: Page/Page column 80 ; US 20050084506 A1
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Route2
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874014-36-5 - ~28%
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In-stock
94-98-4
References
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Takeda Pharmaceutical Company Limited Patent: EP1787991 A1, 2007 ; Location in patent: Page/Page column 46 ; EP 1787991 A1
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Route3
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64-17-5
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In-stock
21789-36-6
- ~%
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In-stock
94-98-4
References
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Chemische Berichte, , vol. 21, p. 3085
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05,GHS07
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Signal Word : Danger
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UN#: 2735
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Class : 8
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Packing Group : Ⅲ
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Hazard Statements : H302-H314
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Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P330-P363-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.02
- LogP 1.76214
- H_Acceptors 1
- H_Donors 1
- Rotatable_Bonds 1
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