Lot numbers can be found on the outside label of a product:
1,7-Bis-Boc-1,4,7-triazaheptane
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CAS No. 117499-16-8
- Cat. No. CS-W018615
- Purity≥97%
- MDL No.MFCD11226825
*For research and further manufacturing use only, not for direct human use.
Structure of 117499-16-8
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General Information
- CAS No. 117499-16-8
- Cat. No. CS-W018615
- Purity ≥97%
- MDL No. MFCD11226825
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₄H₂₉N₃O₄
- Molecular Weight 303.40
- Synonym(s) None
- SMILES CC(C)(C)OC(=O)NCCNCCNC(=O)OC(C)(C)C
Description
1,7-Bis-Boc-1,4,7-triazaheptane features two tert-butoxycarbonyl groups flanking a linear triazahexane backbone, enabling sequential deprotection and controlled functionalization. This bifunctional scaffold delivers precise access to diamine intermediates under mild conditions, ideal for peptide coupling and macrocyclization strategies in medicinal chemistry workflows.
Application
1,7-Bis-Boc-1,4,7-triazaheptane serves as a versatile bis-protected diamine scaffold for the construction of symmetric and asymmetric triazacyclononane (TACN) derivatives. The Boc groups enable stable storage and orthogonal deprotection, facilitating sequential functionalization. This compound functions as a key building block in ligand design for transition metal catalysis and chelation studies, offering excellent solubility and compatibility with standard peptide coupling protocols.
Synthesis
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Route1
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In-stock
58632-95-4 -
111-40-0 - ~96%
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In-stock
117499-16-8
References
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Macromolecules, , vol. 45, # 17 p. 7157 - 7162
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Route2
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74651-77-7
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111-40-0
- ~66%
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In-stock
117499-16-8
References
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US2013/183235 A1, ; Paragraph 0136; 0137 ;
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Route3
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111-40-0
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In-stock
49761-82-2 - ~77%
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In-stock
117499-16-8
References
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Soft Matter, , vol. 8, # 4 p. 1096 - 1108
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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#: 3261
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Class : 8
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Packing Group : Ⅲ
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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 88.69
- LogP 1.6254
- H_Acceptors 5
- H_Donors 3
- Rotatable_Bonds 6
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Key Words
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