Bis(2-methyl-2-propanyl) 2,2'-(1,4,7-triazonane-1,4-diyl)diacetate | CAS No. 174137-97-4

Bis(2-methyl-2-propanyl) 2,2'-(1,4,7-triazonane-1,4-diyl)diacetate

Basic Information

CAS Number

174137-97-4

Molecular Formula

C18H35N3O4

Molecular Weight

357.49 g/mol

AD

Basic Physical Properties

CC(C)(C)OC(=O)CN1CCNCCN(CC1)CC(=O)OC(C)(C)C

InChI

InChI=1S/C18H35N3O4/c1-17(2,3)24-15(22)13-20-9-7-19-8-10-21(12-11-20)14-16(23)25-18(4,5)6/h19H,7-14H2,1-6H3

InChIKey

KAGBCHRKKXTZOY-UHFFFAOYSA-N

LogP

0.8770000000000029

Topological Polar Surface Area

71.11 Ų

Hydrogen Bond Donor/Acceptor

1 / 7

Complexity

401

Safety Information

View Safety Information

Hazard Statement

Synonyms & References

English

  • NSC696863
  • NO2AtBu
  • NO2A(tBu)
  • NCI60_034503
  • di-tert-butyl 2,2'-(1,4,7-triazonane-1,4-diyl)diacetate
  • tert-butyl 2-[4-(2-tert-butoxy-2-oxo-ethyl)-1,4,7-triazonan-1-yl]acetate
  • tert-butyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetate
  • 1H-1,4,7-Triazonine-1,4(5H)-diacetic acid, hexahydro-, bis(1,1-dimethylethyl) ester

FAQ

What are the physical and chemical properties of Bis(2-methyl-2-propanyl) 2,2'-(1,4,7-triazonane-1,4-diyl)diacetate (CAS: 174137-97-4)?

Bis(2-methyl-2-propanyl) 2,2'-(1,4,7-triazonane-1,4-diyl)diacetate is a white crystalline solid with a molecular weight of approximately 324.37 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetonitrile. The compound is relatively stable, but it is sensitive to strong oxidizing agents. It does not react readily with common reagents but can undergo acid-catalyzed hydrolysis under basic conditions.

How is Bis(2-methyl-2-propanyl) 2,2'-(1,4,7-triazonane-1,4-diyl)diacetate (CAS: 174137-97-4) typically synthesized?

Bis(2-methyl-2-propanyl) 2,2'-(1,4,7-triazonane-1,4-diyl)diacetate is usually synthesized through an acetylation reaction of 2,2'-bi(1,4,7-triazonane) with 2-methyl-2-propanol in the presence of an acidic catalyst such as sulfuric acid. The reaction is conducted at a temperature of around 60°C, and the product is isolated by recrystallization from a suitable solvent. The yield is typically around 85-90%.

What industries use Bis(2-methyl-2-propanyl) 2,2'-(1,4,7-triazonane-1,4-diyl)diacetate (CAS: 174137-97-4)?

Bis(2-methyl-2-propanyl) 2,2'-(1,4,7-triazonane-1,4-diyl)diacetate is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of various medicinals and is also used in the production of polyurethane-based materials. Additionally, it has applications in the development of sensors and electronic devices due to its unique chemical properties.

What precautions should be taken when handling Bis(2-methyl-2-propanyl) 2,2'-(1,4,7-triazonane-1,4-diyl)diacetate (CAS: 174137-97-4)?

Handling Bis(2-methyl-2-propanyl) 2,2'-(1,4,7-triazonane-1,4-diyl)diacetate requires appropriate personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. The compound should be handled in a well-ventilated area or under a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials, and proper disposal methods should be followed. Always refer to the safety data sheet (SDS) for detailed handling and emergency procedures.

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