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 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 |
(1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)-2-methylpropan-1-amine Related Literature
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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.
1213579-51-1 ((1S)-1-(2,2-Difluoro-1,3-benzodioxol-4-yl)-2-methylpropan-1-amine) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)