Tris(2-methyl-2-propanyl) 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate | CAS No. 175854-39-4

Tris(2-methyl-2-propanyl) 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate

Basic Information

CAS Number

175854-39-4

Molecular Formula

C23H44N4O6

Molecular Weight

472.63 g/mol

AD

Basic Physical Properties

Melting Point

72-73 ºC

Boiling Point

541.1°C at 760 mmHg

CC(C)(C)OC(=O)N1CCNCCN(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H44N4O6/c1-21(2,3)31-18(28)25-12-10-24-11-13-26(19(29)32-22(4,5)6)15-17-27(16-14-25)20(30)33-23(7,8)9/h24H,10-17H2,1-9H3

InChIKey

ZXASHTYJQJMCQR-UHFFFAOYSA-N

LogP

3.3009000000000013

Topological Polar Surface Area

100.65000000000002 Ų

Hydrogen Bond Donor/Acceptor

1 / 10

Complexity

621

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Hygroscopic

Synonyms & References

English

  • MFCD09953471
  • A3904
  • AKOS015911763
  • N,N',N''-tris-Boc-cyclen
  • tritert-butyl 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
  • 1,4,7-tri-Boc-1,4,7,10-tetraaza-cyclododecane
  • Tri-tert-Butyl 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate
  • J-011140
  • Tri-tert-Butyl1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate
  • DTXSID60447053
  • 175854-39-4
  • DS-4003
  • 1,4,7-tris-(t-butyl-oxycarbonyl)-1,4,7,10-tetraazacyclododecane
  • 1,4,7-Tri-Boc-1,4,7,10-tetraazacyclododecane, 98%
  • 1,4,7-Tri-Boc-1,4,7,10-tetraazacyclododecane
  • CS-W004649
  • N,N',N''-Tri-Boc-cyclen
  • 1,4,7-tris-Boc-1,4,7,10-tetraaza-cyclododecane
  • C23H44N4O6
  • FT-0721142
  • AMY7627
  • SCHEMBL2220355
  • 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylicacid,1,4,7-tris(1,1-dimethylethyl)ester
  • 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, 1,4,7-tris(1,1-dimethylethyl) ester
  • Tri-tert-butyl 1,4,7,10-tetraazacyclotetradecane-1,4,7-tricarboxylate
  • TriBoc-Cyclen
  • 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxylic acid, tris(1,1-diMethylethyl) ester
  • Tris-BOC-Cyclen

MDL Number

MFCD09953471

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Tris(2-methyl-2-propanyl) 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate (CAS: 175854-39-4)?

Tris(2-methyl-2-propanyl) 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate is a crystalline compound with a molecular weight of approximately 500 g/mol. It is sparingly soluble in organic solvents and has good solubility in water. The compound is known for its reactivity in coordination chemistry and its ability to form stable complexes with metal ions. It is stable under normal conditions but sensitive to strong acids and bases.

How is Tris(2-methyl-2-propanyl) 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate (CAS: 175854-39-4) typically synthesized?

Tris(2-methyl-2-propanyl) 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate is synthesized through a multi-step process involving the condensation of 2-methyl-2-propanol and 1,4,7,10-tetraazacyclododecane. This reaction is typically catalyzed by a Lewis acid and proceeds with good yield. The process requires precise control of reaction conditions to achieve the desired product with high selectivity.

What industries use Tris(2-methyl-2-propanyl) 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate (CAS: 175854-39-4)?

Tris(2-methyl-2-propanyl) 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate is used in various industries. It is widely employed in the pharmaceutical sector for the synthesis of chelating agents and metal complexes. It also finds applications in the polymer industry for the preparation of functionalized polymers. Additionally, it is used in the fabrication of sensors and in semiconductor manufacturing for its coordination properties.

What precautions should be taken when handling Tris(2-methyl-2-propanyl) 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate (CAS: 175854-39-4)?

When handling Tris(2-methyl-2-propanyl) 1,4,7,10-tetraazacyclododecane-1,4,7-tricarboxylate, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a dry, well-ventilated area away from incompatible materials. Spills should be handled using appropriate methods and cleaned up carefully. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...