1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane

Basic Information

View in Editor

CAS Number

18084-64-5

Molecular Formula

C36H44N4

Molecular Weight

532.78 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

143.0 to 147.0 deg-C

Boiling Point

639.2±50.0 °C at 760 mmHg

Flash Point

264.7±25.7 °C

Refractive Index

1.6

Vapor Pressure

0.0±1.9 mmHg at 25°C

SMILES

View in Editor

C1CN(CCN(CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C36H44N4/c1-5-13-33(14-6-1)29-37-21-23-38(30-34-15-7-2-8-16-34)25-27-40(32-36-19-11-4-12-20-36)28-26-39(24-22-37)31-35-17-9-3-10-18-35/h1-20H,21-32H2

InChIKey

VXOJKUWHCFFUCO-UHFFFAOYSA-N

LogP

6.008800000000007

Topological Polar Surface Area

12.96 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

517

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane
AKOS015907696
CS-0085870
FT-0658181
1,4,7,10-Tetraazacyclododecane, 1,4,7,10-tetrakis(phenylmethyl)-
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
T3356
J-503962
DTXSID30330261
A812564
T71960
MFCD05864401
NS00114751
18084-64-5
AS-71723
1,4,7,10-tetrakisbenzyl-1,4,7,10-tetraazacyclododecane
SCHEMBL2489199
1,4,7,10-TETRABENZYLCYCLEN
1,4,7,10-tetra-aza-cyclododecane
1,4,7,10-Tetrabenzyl-1,4,7,10-tetraaza-cyclododecan
1,4,7,10-tetrabenzyl-1,4,7,10-tetraaza-cyclododecane
C36H44N4
9481AA
RL02310
AX8235710
084T645

MDL Number

MFCD05864401

FAQ

What are the physical and chemical properties of 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane (CAS: 18084-64-5)?

1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane (CAS: 18084-64-5) is a crystalline compound with a molecular weight of approximately 656.5 g/mol. It has low solubility in water but is soluble in organic solvents like dichloromethane and ethanol. This compound is known for its high reactivity with various metal ions, making it useful in coordination chemistry applications.

How is 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane (CAS: 18084-64-5) typically synthesized?

1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane (CAS: 18084-64-5) is synthesized through a multi-step process involving the condensation of benzaldehydes and 1,4,7,10-tetraaminododecane. The synthesis typically employs a base like sodium hydride as a catalyst, with a yield of around 75%. The reaction is carried out under inert conditions to prevent side reactions.

What industries use 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane (CAS: 18084-64-5)?

1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane (CAS: 18084-64-5) is primarily used in pharmaceuticals for the synthesis of metal complexes, which can have therapeutic properties. It is also utilized in the production of sensors and semiconductors due to its coordination ability and stability.

What precautions should be taken when handling 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane (CAS: 18084-64-5)?

When handling 1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane (CAS: 18084-64-5), ensure the use of appropriate personal protective equipment (PPE) such as gloves and goggles. Store the compound in a fume hood and avoid exposure to air to prevent oxidation. In case of a spill, immediately contain it and clean up using suitable absorbent materials. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.