Cas no 1213579-51-1 ((1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)-2-methylpropan-1-amine)

(1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)-2-methylpropan-1-amine is a chiral amine compound featuring a 2,2-difluorobenzodioxole core, which imparts unique electronic and steric properties. The stereospecific (1S) configuration ensures precise enantiomeric purity, making it valuable for asymmetric synthesis and pharmaceutical applications. The difluorobenzodioxole moiety enhances metabolic stability and bioavailability, while the adjacent isopropyl group contributes to controlled steric hindrance. This compound is particularly useful as an intermediate in the development of bioactive molecules, including CNS-targeting drugs, due to its balanced lipophilicity and structural rigidity. Its well-defined chiral center and functional group compatibility facilitate selective derivatization, supporting high-yield synthetic routes in medicinal chemistry.
(1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)-2-methylpropan-1-amine structure
1213579-51-1 structure
Product Name:(1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)-2-methylpropan-1-amine
CAS No:1213579-51-1
MF:C11H13F2NO2
MW:229.22323012352
CID:5018619
Update Time:2025-05-23

(1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)-2-methylpropan-1-amine Chemical and Physical Properties

Names and Identifiers

    • (S)-1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-4-YL)-2-METHYLPROPAN-1-AMINE
    • (1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)-2-methylpropan-1-amine
    • Inchi: 1S/C11H13F2NO2/c1-6(2)9(14)7-4-3-5-8-10(7)16-11(12,13)15-8/h3-6,9H,14H2,1-2H3/t9-/m0/s1
    • InChI Key: NXVBOPTWBBEUTG-VIFPVBQESA-N
    • SMILES: FC1(OC2=CC=CC(=C2O1)[C@H](C(C)C)N)F

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 260
  • XLogP3: 2.7
  • Topological Polar Surface Area: 44.5

(1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)-2-methylpropan-1-amine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1761567-1g
(s)-1-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)-2-methylpropan-1-amine
1213579-51-1 98%
1g
¥10069.00 2024-08-09

Additional information on (1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)-2-methylpropan-1-amine

Introduction to Compound CAS No. 1213579-51-1: (1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)-2-methylpropan-1-amine

The compound CAS No. 1213579-51-1, also known as (1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)-2-methylpropan-1-amine, is a highly specialized organic molecule with significant potential in various scientific and industrial applications. This compound belongs to the class of amines, specifically featuring a tertiary amine group attached to a chiral center. The molecule's structure incorporates a benzodioxole ring system substituted with difluorine atoms at the 2-position and an isopropyl group at the 4-position. The stereochemistry at the chiral center is designated as (S), which plays a crucial role in determining its physical and chemical properties.

Recent advancements in synthetic chemistry have enabled the efficient synthesis of this compound through multi-step processes involving precise control over stereochemistry and regioselectivity. Researchers have employed methodologies such as enantioselective catalysis and asymmetric induction to achieve high enantiomeric excess in the final product. These techniques are critical for applications where stereochemistry significantly influences biological activity or material properties.

The benzodioxole moiety in this compound is known for its stability and ability to participate in various chemical reactions. The difluorine substitution at the 2-position introduces electronic effects that enhance the molecule's reactivity and selectivity in specific reaction conditions. This feature makes (1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)-2-methylpropan-1-amine a valuable intermediate in the synthesis of more complex molecules, including pharmaceutical agents and agrochemicals.

In terms of applications, this compound has shown promise in the field of medicinal chemistry. Its structure suggests potential interactions with biological targets such as enzymes or receptors, making it a candidate for drug development programs targeting various therapeutic areas. Recent studies have explored its ability to modulate enzyme activity through competitive inhibition or allosteric regulation, highlighting its potential as a lead compound for further optimization.

Furthermore, the compound's physical properties, including its melting point, solubility, and stability under different conditions, have been extensively characterized using advanced analytical techniques such as NMR spectroscopy and mass spectrometry. These studies provide essential data for its safe handling and storage during synthesis and application.

From an environmental perspective, researchers have investigated the biodegradability and ecological impact of CAS No. 1213579-51-1. Preliminary results indicate that under controlled conditions, the compound exhibits moderate biodegradation rates, suggesting that it may not persist long-term in natural environments. However, further studies are required to fully understand its environmental fate and potential risks.

In conclusion, (1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)-2-methylpropan-1-amine represents a versatile building block with diverse applications across multiple disciplines. Its unique structure and stereochemical properties make it an attractive candidate for further research and development in fields ranging from pharmaceuticals to materials science. As scientific understanding of this compound continues to grow, so too will its potential contributions to advancing technology and improving human health.

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