Cas no 1233501-56-8 (4-ethynyl-3,5-difluoro-aniline)

4-Ethynyl-3,5-difluoro-aniline is a fluorinated aromatic amine featuring an ethynyl substituent, offering unique reactivity for cross-coupling and click chemistry applications. The difluoro substitution pattern enhances electron-withdrawing properties, making it valuable in the synthesis of advanced intermediates for pharmaceuticals, agrochemicals, and materials science. The ethynyl group enables efficient functionalization via Sonogashira coupling or cycloaddition reactions, while the amine moiety provides a handle for further derivatization. Its structural features contribute to improved stability and selectivity in complex synthetic pathways. This compound is particularly useful in designing fluorinated scaffolds with tailored electronic and steric properties for high-performance applications.
4-ethynyl-3,5-difluoro-aniline structure
1233501-56-8 structure
Product Name:4-ethynyl-3,5-difluoro-aniline
CAS No:1233501-56-8
MF:C8H5F2N
MW:153.128808736801
CID:1214658
PubChem ID:50998785
Update Time:2025-05-21

4-ethynyl-3,5-difluoro-aniline Chemical and Physical Properties

Names and Identifiers

    • 4-ethynyl-3,5-difluoro-aniline
    • 4-Amino-2,6-difluorophenylacetylene
    • 1233501-56-8
    • MFCD11036470
    • SCHEMBL18297598
    • F84224
    • 4-ethynyl-3,5-difluoroaniline
    • 4-ethynyl-3,5-difluorobenzenamine
    • AKOS006309910
    • EN300-6409027
    • Inchi: 1S/C8H5F2N/c1-2-6-7(9)3-5(11)4-8(6)10/h1,3-4H,11H2
    • InChI Key: HPZBNOIVBCZQRR-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C(C=1C#C)F)N

Computed Properties

  • Exact Mass: 153.03900549g/mol
  • Monoisotopic Mass: 153.03900549g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 172
  • 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: 1.7
  • Topological Polar Surface Area: 26?2

4-ethynyl-3,5-difluoro-aniline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1539783-100mg
4-Ethynyl-3,5-difluoroaniline
1233501-56-8 98%
100mg
¥2074.00 2024-08-09
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1539783-250mg
4-Ethynyl-3,5-difluoroaniline
1233501-56-8 98%
250mg
¥3525.00 2024-08-09
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1539783-1g
4-Ethynyl-3,5-difluoroaniline
1233501-56-8 98%
1g
¥10194.00 2024-08-09
Enamine
EN300-6409027-0.05g
4-ethynyl-3,5-difluoroaniline
1233501-56-8 95%
0.05g
$226.0 2023-05-25
Enamine
EN300-6409027-0.1g
4-ethynyl-3,5-difluoroaniline
1233501-56-8 95%
0.1g
$337.0 2023-05-25
Enamine
EN300-6409027-0.25g
4-ethynyl-3,5-difluoroaniline
1233501-56-8 95%
0.25g
$481.0 2023-05-25
Enamine
EN300-6409027-0.5g
4-ethynyl-3,5-difluoroaniline
1233501-56-8 95%
0.5g
$758.0 2023-05-25
Enamine
EN300-6409027-1.0g
4-ethynyl-3,5-difluoroaniline
1233501-56-8 95%
1g
$971.0 2023-05-25
Enamine
EN300-6409027-2.5g
4-ethynyl-3,5-difluoroaniline
1233501-56-8 95%
2.5g
$1903.0 2023-05-25
Enamine
EN300-6409027-5.0g
4-ethynyl-3,5-difluoroaniline
1233501-56-8 95%
5g
$2816.0 2023-05-25

Additional information on 4-ethynyl-3,5-difluoro-aniline

4-Ethynyl-3,5-Difluoro-Aniline: A Comprehensive Overview

4-Ethynyl-3,5-Difluoro-Aniline, identified by the CAS Registry Number 1233501-56-8, is a versatile aromatic compound with significant applications in organic synthesis and materials science. This compound is characterized by its unique structure, which combines an aniline backbone with ethynyl and difluoro substituents. The presence of the triple bond in the ethynyl group introduces reactivity that makes this compound valuable in various chemical transformations.

The synthesis of 4-Ethynyl-3,5-Difluoro-Aniline typically involves multi-step processes, often starting from fluorinated aniline derivatives. Recent advancements in catalytic methods have enabled more efficient syntheses, reducing reaction times and improving yields. For instance, the use of palladium-catalyzed cross-coupling reactions has been pivotal in constructing the ethynyl group with high precision.

In terms of applications, 4-Ethynyl-3,5-Difluoro-Aniline has shown promise in the development of advanced materials. Its ability to undergo click chemistry reactions makes it a valuable precursor for functional polymers and nanoparticles. Researchers have explored its use in creating stimuli-responsive materials, which can change properties under specific conditions such as temperature or pH changes.

The electronic properties of 4-Ethynyl-3,5-Difluoro-Aniline are also of interest in the field of optoelectronics. The fluorine substituents enhance the molecule's electron-withdrawing effects, which can be leveraged in designing organic light-emitting diodes (OLEDs) and photovoltaic devices. Recent studies have demonstrated improved device performance when this compound is incorporated into conjugated systems.

Beyond materials science, 4-Ethynyl-3,5-Difluoro-Aniline has potential applications in drug discovery. Its structure allows for modulation of pharmacokinetic properties, making it a candidate for bioisosteric replacements in medicinal chemistry. The compound's reactivity also facilitates the construction of complex molecular frameworks required for novel therapeutic agents.

In conclusion, 4-Ethynyl-3,5-Difluoro-Aniline, with its unique structural features and versatile reactivity, continues to be a focal point in chemical research. Its applications span across multiple disciplines, driven by ongoing innovations in synthetic methodologies and material design.

Recommended suppliers
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
SHOCHEM(SHANGHAI) CO.,lTD
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.