Lot numbers can be found on the outside label of a product:
Methyl 1-piperazinecarboxylate
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CAS No. 50606-31-0
- Cat. No. CS-0069574
- Purity≥98%
- MDL No.MFCD06411658
*For research and further manufacturing use only, not for direct human use.
Structure of 50606-31-0
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General Information
- CAS No. 50606-31-0
- Cat. No. CS-0069574
- Purity ≥98%
- MDL No. MFCD06411658
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₁₂N₂O₂
- Molecular Weight None
- Synonym(s) Methylpiperazine-1-carboxyate
- SMILES O=C(N1CCNCC1)OC
Description
Methyl 1-piperazinecarboxylate is a bench-stable, moisture-tolerant piperazine derivative featuring a polar ester group that enhances solubility in protic and aprotic solvents. This compound integrates readily into synthetic routes for bioactive molecules, serving as a key scaffold in medicinal chemistry due to its ability to modulate molecular polarity and hydrogen bonding capacity.
Application
Methyl 1-piperazinecarboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to piperazine-containing scaffolds. Its ester functionality facilitates selective derivatization, while the piperazine ring provides favorable solubility and hydrogen-bonding capacity. The compound exhibits good bench stability, ease of purification, and compatibility with common coupling and functional group transformation protocols.
Synthesis
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Route1
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219509-79-2 - ~%
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In-stock
50606-31-0
References
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Zulli, Allison L.; Aimone, Lisa D.; Mathiasen, Joanne R.; Gruner, John A.; Raddatz, Rita; Bacon, Edward R.; Hudkins, Robert L. Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 8 p. 2807 - 2810
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Route2
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110-85-0 -
79-22-1
- ~%
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In-stock
50606-31-0
References
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Morgan, Bradley P.; Muci, Alexander; Lu, Pu-Ping; Qian, Xiangping; Tochimoto, Todd; Smith, Whitney W.; Garard, Marc; Kraynack, Erica; Collibee, Scott; Suehiro, Ion; Tomasi, Adam; Valdez, S. Corey; Wang, Wenyue; Jiang, Hong; Hartman, James; Rodriguez, Hector M.; Kawas, Raja; Sylvester, Sheila; Elias, Kathleen A.; Godinez, Guillermo; Lee, Kenneth; Anderson, Robert; Sueoka, Sandra; Xu, Donghong; Wang, Zhengping; Djordjevic, Nebojsa; Malik, Fady I.; Morgans, David J. ACS Medicinal Chemistry Letters, 2010 , vol. 1, # 9 p. 472 - 477
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Route3
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110-85-0
- ~%
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In-stock
50606-31-0
References
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Stewart et al. Journal of Organic Chemistry, 1948 , vol. 13, p. 134,138
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS05
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Signal Word : Danger
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UN#: 1760
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Class : 8
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Packing Group : Ⅱ
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Hazard Statements : H314
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Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 41.57
- LogP -0.342
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 0
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