Cas no 31661-59-3 (3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline)

3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline is a diamine compound featuring a central butadiyne linker flanked by two aniline groups. This structure imparts rigidity and conjugation, making it valuable in polymer chemistry and materials science. Its symmetrical design enhances thermal stability and mechanical properties when incorporated into polyimides or other high-performance polymers. The compound's diamine functionality allows for straightforward polymerization via condensation reactions, enabling the synthesis of advanced materials with tailored electronic or optical characteristics. Additionally, the butadiyne spacer may facilitate crosslinking or further functionalization, expanding its utility in coatings, adhesives, or specialty resins. Its high purity and well-defined structure ensure consistent performance in research and industrial applications.
3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline structure
31661-59-3 structure
Product Name:3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline
CAS No:31661-59-3
MF:C16H12N2
MW:232.279883384705
MDL:MFCD06200769
CID:299913
PubChem ID:15143342
Update Time:2025-06-11

3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline Chemical and Physical Properties

Names and Identifiers

    • Benzenamine,3,3'-(1,3-butadiyne-1,4-diyl)bis-
    • 1,4-BIS(3-AMINOPHENYL)BUTADIYNE
    • 3-[4-(3-aminophenyl)buta-1,3-diynyl]aniline
    • 1,4-bis(3-aminophenyl)-1,3-butadiyne
    • 1,4-bis(m-aminophenyl)buta-1,3-diyne
    • 3-(4-(3-aminophenyl)buta-1,3-diynyl)benzeneamine
    • 3,3'-(buta-1,3-diyne-1,4-diyl)dibenzenamine
    • 3-[4-(3-aminophenyl)-1,3-butadiynyl]phenylamine
    • Aniline,3,3'-butadiynylenedi-(8CI)
    • Benzenamine,3,3'-(1,3-butadiyne-1,4-diyl)bis
    • C16H12N2
    • FMZHYPYMCCZVCA-UHFFFAOYSA
    • h3-4,7-12H,17-18H2
    • 3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline
    • 3,3'-diaminodiphenyldiacetylene
    • FMZHYPYMCCZVCA-UHFFFAOYSA-
    • 3-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]aniline
    • DTXSID20568995
    • E76667
    • AMY11213
    • SCHEMBL2266577
    • AKOS027384370
    • MFCD06200769
    • InChI=1/C16H12N2/c17-15-9-3-7-13(11-15)5-1-2-6-14-8-4-10-16(18)12-14/h3-4,7-12H,17-18H2
    • 3,3 inverted exclamation mark -(1,3-Butadiyne-1,4-diyl)dianiline
    • Y2S01006
    • 31661-59-3
    • BS-51329
    • CS-0110798
    • SY273917
    • MDL: MFCD06200769
    • Inchi: 1S/C16H12N2/c17-15-9-3-7-13(11-15)5-1-2-6-14-8-4-10-16(18)12-14/h3-4,7-12H,17-18H2
    • InChI Key: FMZHYPYMCCZVCA-UHFFFAOYSA-N
    • SMILES: NC1C=CC=C(C#CC#CC2=CC=CC(=C2)N)C=1

Computed Properties

  • Exact Mass: 232.10000
  • Monoisotopic Mass: 232.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 360
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3
  • Topological Polar Surface Area: 52

Experimental Properties

  • Color/Form: Not determined
  • PSA: 52.04000
  • LogP: 3.41660
  • Solubility: Not determined

3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline Customs Data

  • HS CODE:2921590090
  • Customs Data:

    China Customs Code:

    2921590090

    Overview:

    2921590090. Other aromatic polyamines and derivatives and their salts. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2921590090. other aromatic polyamines and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline Pricemore >>

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3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline Production Method

Additional information on 3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline

Introduction to 3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline (CAS No. 31661-59-3)

3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline, identified by the Chemical Abstracts Service Number (CAS No.) 31661-59-3, is a specialized organic compound that has garnered significant attention in the field of advanced materials and pharmaceutical chemistry. This molecule, featuring a unique buta-1,3-diyne bridge connecting two aniline units, exhibits intriguing electronic and structural properties that make it a promising candidate for various applications, including organic electronics, photovoltaics, and medicinal chemistry.

The structural framework of 3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline is characterized by its conjugated system and the presence of multiple triple bonds within the buta-1,3-diyne moiety. This conjugation not only influences the molecule's electronic properties but also contributes to its stability and reactivity. The dual aniline groups at the termini further enhance its potential for further functionalization and integration into complex molecular architectures.

In recent years, the study of conjugated polymers and oligomers has seen remarkable advancements, particularly in the development of materials for organic light-emitting diodes (OLEDs), organic field-effect transistors (OFETs), and dye-sensitized solar cells (DSSCs). 3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline stands out due to its ability to form well-defined π-conjugated systems, which are crucial for efficient charge transport and light absorption. The presence of the buta-1,3-diyne unit introduces additional rigidity and tunability to the polymer backbone, allowing for precise control over molecular packing and intermolecular interactions.

One of the most compelling aspects of 3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline is its potential in pharmaceutical applications. The aniline moieties are well-known for their biological activity and have been extensively studied as pharmacophores in drug discovery. The introduction of a buta-1,3-diyne bridge offers a novel scaffold for designing molecules with enhanced binding affinity and selectivity. This has led to several research efforts aimed at synthesizing derivatives of 3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline with specific therapeutic targets.

Recent studies have demonstrated the utility of 3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline in the development of novel anticancer agents. The conjugated system and electron-rich nature of this compound make it an attractive candidate for interacting with biological targets such as DNA and proteins. Additionally, the buta-1,3-diyne unit can serve as a site for post-synthetic modifications, allowing researchers to fine-tune the pharmacological properties of the molecule. These findings highlight the potential of CAS No. 31661-59-3 as a versatile building block in medicinal chemistry.

The synthesis of 3,3'-(Buta-1,3-diyne-1,4-diyl)dianiline presents unique challenges due to the sensitivity of the buta-1,3-diyne unit to environmental conditions. However, recent advances in synthetic methodologies have made it possible to access this compound in high yields with improved purity. These developments have opened up new avenues for exploring its applications in various fields.

In the realm of materials science, CAS No. 31661-59-3 has been investigated for its potential use in conductive polymers and nanomaterials. The high electron density and conjugation length provided by the buta-1, 4 -diyl bridge make this compound an excellent candidate for applications requiring efficient charge transport. Researchers have explored its incorporation into polymers, such as poly(phenylene vinylene) (PPV) derivatives, to enhance their electrical conductivity and optical properties.

The photophysical properties of buta - 1 , 4 -diyl - connected dianilines are also of great interest。 These compounds exhibit strong absorption in the visible region, making them suitable for use as dyes in photovoltaic devices。 Additionally, their ability to emit light when excited makes them promising candidates for use in OLEDs。 Recent studies have shown that by tuning the length and substitution pattern of the buta - 1 , 4 -diyl bridge, researchers can significantly influence the emission characteristics of these molecules。

Another area where CAS No. 31 66 15 - 59 - 03 has shown promise is in supramolecular chemistry。 The presence of multiple functional groups allows for self - assembly into complex structures through non - covalent interactions such as π - π stacking, hydrogen bonding, and electrostatic interactions。 These supramolecular assemblies have potential applications in molecular recognition, catalysis, and nanotechnology。

The versatility of buta - diyne - connected dianilines extends beyond their structural and electronic properties。 Their unique reactivity makes them valuable tools for exploring new synthetic pathways and developing novel materials with tailored properties。 As research continues to uncover new applications for this class of compounds, it is likely that we will see even more innovative uses emerge。

In conclusion, CAS No. 31 66 15 - 59 - 03 represents a fascinating compound with broad applications across multiple disciplines。 Its unique structure, electronic properties, and reactivity make it an invaluable tool for researchers working on advanced materials, pharmaceuticals, and supramolecular chemistry。 As our understanding of its potential grows, so too will its role in shaping the future of science and technology。

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