Triethyl 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

Name: Triethyl 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
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CAS No. 114873-52-8
Cat. No. CS-0196518
Purity≥95%
MDL No.None

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Triethyl 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate|CS-0196518

Structure of 114873-52-8

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General Information

CAS No. 114873-52-8
Cat. No. CS-0196518
Purity ≥95%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₀H₃₈N₄O₆
Molecular Weight 430.54
Synonym(s) 1,4,7-Tris(ethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane
SMILES CCOC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OCC)CC(=O)OCC

Synthesis

Route1
- 105-36-2
- In-stock
  
  294-90-6
- ~71%
- 114873-52-8
References
- Main, Marcus; Snaith, John S.; Meloni, Marco M.; Jauregui, Maitey; Sykes, Daniel; Faulkner, Stephen; Kenwright, Alan M. Chemical Communications, 2008 , # 41 p. 5212 - 5214
Route2
- 105-36-2
- In-stock
  
  294-90-6
- ~2%
- 114873-52-8
- 468743-81-9
References
- Li, Cong; Wong, Wing-Tak Tetrahedron Letters, 2002 , vol. 43, # 17 p. 3217 - 3220

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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Computational Chemistry Data

TPSA 100.65
LogP -0.8151
H_Acceptors 10
H_Donors 1
Rotatable_Bonds 9

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Other aliphatic heterocycles compounds

Key Words

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Triethyl 2,2',2''-(1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate

CAS No. 114873-52-8

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Synthesis

References