Lot numbers can be found on the outside label of a product:
1-Benzyl-3,3-dimethylpiperazine
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CAS No. 674791-95-8
- Cat. No. CS-0143652
- Purity≥95%
- MDL No.MFCD16305868
*For research and further manufacturing use only, not for direct human use.
Structure of 674791-95-8
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General Information
- CAS No. 674791-95-8
- Cat. No. CS-0143652
- Purity ≥95%
- MDL No. MFCD16305868
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₃H₂₀N₂
- Molecular Weight 204.31
- Synonym(s) None
- SMILES CC1(C)CN(CC2=CC=CC=C2)CCN1
Description
1-Benzyl-3,3-dimethylpiperazine features a sterically hindered piperazine core with a benzyl group at the 1-position, enhancing solubility and metabolic stability. This configuration supports efficient incorporation into bioactive molecules, particularly in medicinal chemistry scaffolds requiring improved lipophilicity and reduced basicity.
Application
1-Benzyl-3,3-dimethylpiperazine serves as a versatile nitrogen-containing scaffold in medicinal chemistry, offering enhanced lipophilicity and metabolic stability. Its tertiary amine center enables efficient salt formation and facilitates conjugate addition reactions. The benzyl group provides orthogonal handle for further functionalization, while the 3,3-dimethyl substitution enhances steric protection and bench stability. Functions as a key building block in the synthesis of bioactive molecules and heterocyclic frameworks.
Synthesis
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Route1
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1134542-45-2 - ~90%
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In-stock
674791-95-8
References
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Institute Of Medicinal Molecular Design, Inc.; ShionogiandCo., Ltd. Patent: EP2208728 A1, 2010 ; Location in patent: Page/Page column 141 ;
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Route2
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674792-01-9
- ~97%
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In-stock
674791-95-8
References
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SANOFI; HACHTEL, Stephanie; SCHOENAU, Christian; LOEHN, Matthias; PLETTENBURG, Oliver; PFEIFFER-MAREK, Stefania; SCHIFFER, Alexander; GAUL, Holger; KANNT, Aimo; DEDIO, Juergen; DUDDA, Angela Patent: WO2013/167403 A1, 2013 ; Location in patent: Page/Page column 305; 306 ;
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Route3
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100-52-7
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In-stock
674792-07-5 - ~%
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In-stock
674791-95-8
References
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SANOFI; HACHTEL, Stephanie; SCHOENAU, Christian; LOEHN, Matthias; PLETTENBURG, Oliver; PFEIFFER-MAREK, Stefania; SCHIFFER, Alexander; GAUL, Holger; KANNT, Aimo; DEDIO, Juergen; DUDDA, Angela Patent: WO2013/167403 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-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 15.27
- LogP 1.8704
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 2
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Key Words
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