Cas no 116473-67-7 (3-methylbutane-1,3-diamine)

3-Methylbutane-1,3-diamine is a branched aliphatic diamine with the molecular formula C5H14N2. Its structure features a primary amine group at each terminus, separated by a methyl-substituted carbon chain, offering versatility in chemical reactivity. This compound is particularly valued for its role as a bifunctional building block in organic synthesis, enabling the formation of polymers, chelating agents, and pharmaceutical intermediates. The steric influence of the methyl group can enhance selectivity in certain reactions. Its balanced hydrophobicity and reactivity make it suitable for applications requiring controlled crosslinking or functionalization. The diamine is typically handled under inert conditions due to its sensitivity to moisture and air.
3-methylbutane-1,3-diamine structure
3-methylbutane-1,3-diamine structure
Product Name:3-methylbutane-1,3-diamine
CAS No:116473-67-7
MF:C5H14N2
MW:102.178061008453
MDL:MFCD19207215
CID:1207591
PubChem ID:23279022
Update Time:2025-10-20

3-methylbutane-1,3-diamine Chemical and Physical Properties

Names and Identifiers

    • 1,3-Butanediamine, 3-methyl-
    • 3-methylbutane-1,3-diamine
    • 3-Methyl-1,3-butanediaMine
    • 116473-67-7
    • 1-dimethylpropane-1,3-diamine
    • DTXSID00632446
    • SCHEMBL38127
    • WSDOLNVCEVYCJQ-UHFFFAOYSA-N
    • DB-117336
    • 3-methyl-1,3-diaminobutane
    • EN300-225017
    • AKOS006361110
    • MDL: MFCD19207215
    • Inchi: 1S/C5H14N2/c1-5(2,7)3-4-6/h3-4,6-7H2,1-2H3
    • InChI Key: WSDOLNVCEVYCJQ-UHFFFAOYSA-N
    • SMILES: NC(C)(C)CCN

Computed Properties

  • Exact Mass: 102.115698455g/mol
  • Monoisotopic Mass: 102.115698455g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 50
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.7
  • Topological Polar Surface Area: 52?2

3-methylbutane-1,3-diamine Pricemore >>

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Additional information on 3-methylbutane-1,3-diamine

Introduction to 3-Methylbutane-1,3-diamine (CAS No. 116473-67-7)

3-Methylbutane-1,3-diamine, also known by its CAS number 116473-67-7, is a versatile organic compound that has garnered significant attention in the fields of chemistry, biochemistry, and pharmaceutical research. This compound is characterized by its unique molecular structure, which includes a central carbon atom flanked by two amino groups and a methyl group. The chemical formula of 3-methylbutane-1,3-diamine is C5H14N2, and it has a molecular weight of approximately 102.18 g/mol.

The synthesis of 3-methylbutane-1,3-diamine can be achieved through various methods, including the reductive amination of 3-methylbutan-2-one with ammonia or primary amines. This process typically involves the use of catalysts such as Raney nickel or platinum to facilitate the reduction step. The compound's synthesis is well-documented in the literature and has been optimized for industrial-scale production due to its wide range of applications.

In the realm of pharmaceutical research, 3-methylbutane-1,3-diamine has shown promise as a building block for the synthesis of more complex molecules with therapeutic potential. Recent studies have explored its use in the development of novel drugs targeting various diseases, including neurodegenerative disorders and cancer. For instance, researchers at the University of California have reported that derivatives of 3-methylbutane-1,3-diamine exhibit potent neuroprotective properties, making them potential candidates for treating conditions such as Alzheimer's disease and Parkinson's disease.

Beyond its pharmaceutical applications, 3-methylbutane-1,3-diamine has also found utility in the field of materials science. Its ability to form stable complexes with metal ions makes it an attractive ligand for the synthesis of coordination polymers and metal-organic frameworks (MOFs). These materials have a wide range of applications, from gas storage and separation to catalysis and drug delivery systems. A recent study published in the Journal of Materials Chemistry A demonstrated that MOFs derived from 3-methylbutane-1,3-diamine exhibit exceptional stability and high surface area, making them ideal for use in advanced separation processes.

In addition to its synthetic and material science applications, 3-methylbutane-1,3-diamine has been studied for its potential as a chiral ligand in asymmetric catalysis. Chiral ligands play a crucial role in the synthesis of enantiomerically pure compounds, which are essential in many pharmaceutical and fine chemical products. Research conducted at the Max Planck Institute has shown that 3-methylbutane-1,3-diamine-based ligands can significantly enhance the enantioselectivity of catalytic reactions, leading to higher yields of desired enantiomers.

The environmental impact of 3-methylbutane-1,3-diamine is another area of active research. While it is generally considered safe for industrial use when proper handling protocols are followed, there is ongoing interest in understanding its biodegradability and potential ecological effects. Studies have shown that under certain conditions, microorganisms can effectively degrade this compound, suggesting that it may have a lower environmental impact compared to some other organic compounds used in similar applications.

In conclusion, 3-methylbutane-1,3-diamine (CAS No. 116473-67-7) is a multifaceted compound with a broad range of applications in chemistry, biochemistry, pharmaceuticals, materials science, and environmental science. Its unique chemical properties make it an invaluable tool for researchers and industry professionals alike. As ongoing research continues to uncover new uses and optimize existing applications, the importance of this compound is likely to grow even further.

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