Cas no 236740-70-8 (Benzenamine,N-(1,1-dimethylethyl)-3,5-dimethyl-, molybdenum(3+) salt (3:1))

Benzenamine,N-(1,1-dimethylethyl)-3,5-dimethyl-, molybdenum(3+) salt (3:1) structure
236740-70-8 structure
Product Name:Benzenamine,N-(1,1-dimethylethyl)-3,5-dimethyl-, molybdenum(3+) salt (3:1)
CAS No:236740-70-8
MF:C36H54MoN3
MW:624.774072170258
CID:245469
PubChem ID:16057476
Update Time:2025-05-17

Benzenamine,N-(1,1-dimethylethyl)-3,5-dimethyl-, molybdenum(3+) salt (3:1) Chemical and Physical Properties

Names and Identifiers

    • Benzenamine,N-(1,1-dimethylethyl)-3,5-dimethyl-, molybdenum(3+) salt (3:1)
    • tert-butyl-(3,5-dimethylphenyl)azanide,molybdenum(3+)
    • TRIS(N-TERT-BUTYL-3,5-DIMETHYLANILINO)MOLYBDENUM(III)
    • Molybdenum(3+) tris(N-tert-butyl-3,5-dimethylbenzen-1-aminide)
    • tert-butyl-(3, 5-dimethylphenyl)azanide;molybdenum(3+)
    • AKOS025394559
    • Benzenamine, N-(1,1-dimethylethyl)-3,5-dimethyl-, molybdenum(3+) salt (3:1)
    • DTXSID20474901
    • 236740-70-8
    • tert-butyl-(3,5-dimethylphenyl)azanide;molybdenum(3+)
    • Tris[(tert-butyl)(3,5-dimethylphenyl)amino] molybdenum(III)
    • KDRZSUGGVGLCEE-UHFFFAOYSA-N
    • Inchi: 1S/3C12H18N.Mo/c3*1-9-6-10(2)8-11(7-9)13-12(3,4)5;/h3*6-8H,1-5H3;/q3*-1;+3
    • InChI Key: KDRZSUGGVGLCEE-UHFFFAOYSA-N
    • SMILES: [Mo+3].[N-](C1C=C(C)C=C(C)C=1)C(C)(C)C.[N-](C1C=C(C)C=C(C)C=1)C(C)(C)C.[N-](C1C=C(C)C=C(C)C=1)C(C)(C)C

Computed Properties

  • Exact Mass: 626.33700
  • Monoisotopic Mass: 626.337177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 6
  • Complexity: 147
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 3?2

Experimental Properties

  • Color/Form: Yellow red to dark yellow red crystal powder
  • Boiling Point: 267.7°C at 760 mmHg
  • Flash Point: 114.3°C
  • PSA: 9.72000
  • LogP: 10.11780

Benzenamine,N-(1,1-dimethylethyl)-3,5-dimethyl-, molybdenum(3+) salt (3:1) Security Information

  • Storage Condition:cold storage

Benzenamine,N-(1,1-dimethylethyl)-3,5-dimethyl-, molybdenum(3+) salt (3:1) Pricemore >>

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Additional information on Benzenamine,N-(1,1-dimethylethyl)-3,5-dimethyl-, molybdenum(3+) salt (3:1)

Benzenamine, N-(1,1-dimethylethyl)-3,5-dimethyl-, molybdenum(3+) salt (3:1)

The compound with CAS No 236740-70-8, known as Benzenamine, N-(1,1-dimethylethyl)-3,5-dimethyl-, molybdenum(3+) salt (3:1), is a fascinating chemical entity that has garnered significant attention in recent scientific research. This compound is a coordination complex comprising a molybdenum(III) ion and a specific organic ligand. The ligand structure, N-(1,1-dimethylethyl)-3,5-dimethylbenzenamine, plays a crucial role in determining the compound's unique properties and potential applications.

Recent studies have highlighted the importance of such metal-ligand complexes in various fields, including catalysis, materials science, and biochemistry. The molybdenum(III) center in this compound is particularly interesting due to its ability to participate in redox reactions and coordinate with multiple ligands. The organic component of the ligand, N-(1,1-dimethylethyl)-3,5-dimethylbenzenamine, contributes to the stability and electronic properties of the complex. Its structure features a benzene ring substituted with methyl groups at positions 3 and 5 and an N-substituted isopropyl group, which enhances its ability to act as a chelating agent.

One of the most promising applications of this compound lies in its potential use as a catalyst in organic synthesis. Researchers have demonstrated that metal complexes with similar structures can facilitate various reactions, such as oxidation and reduction processes. The coordination environment around the molybdenum ion in this compound suggests that it may exhibit similar catalytic behavior. Furthermore, the steric bulk provided by the isopropyl group and methyl substituents could influence the selectivity of these reactions.

In addition to its catalytic potential, this compound has shown promise in materials science. The ability of molybdenum complexes to form ordered structures makes them candidates for applications in molecular electronics and sensing technologies. Recent advancements in crystal engineering have emphasized the importance of understanding how ligand structure influences crystal packing and electronic properties. The N-(1,1-dimethylethyl)-3,5-dimethylbenzenamine ligand's design may offer new insights into creating materials with tailored electronic characteristics.

Another area where this compound has gained attention is its potential role in biochemistry. Molybdenum-containing enzymes are known to play critical roles in nitrogen fixation and other metabolic processes. While this compound is not directly involved in biological systems, its structural similarities to certain enzyme cofactors suggest that it could serve as a model for studying enzyme mechanisms or designing artificial enzymes.

From an environmental perspective, understanding the stability and reactivity of such compounds is essential for assessing their potential impact on ecosystems. Recent research has focused on the degradation pathways of metal-ligand complexes under various conditions. The molybdenum(III) center's redox activity and the organic ligand's stability suggest that this compound may undergo specific transformation pathways under environmental conditions.

In conclusion, Benzenamine, N-(1,1-dimethylethyl)-3,5-dimethyl-, molybdenum(3+) salt (3:1) (CAS No 236740-70-8) represents a valuable addition to the arsenal of metal-ligand complexes available for scientific exploration. Its unique combination of structural features makes it a compelling candidate for applications in catalysis, materials science, and biochemistry. As researchers continue to uncover its properties and potential uses, this compound is likely to play an increasingly important role in advancing our understanding of coordination chemistry.

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