Cas no 117391-49-8 (3-Amino-3-(2-fluorophenyl)propanoic Acid)
3-Amino-3-(2-fluorophenyl)propanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 3-Amino-3-(2-fluorophenyl)propanoic acid
- 3-Amino-3-(2-fluoro-phenyl)-propionic acid
- RARECHEM AK HC T305
- DL-3-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID
- (RS)-3-Amino-3-(2-fluorophenyl)-propionic acid
- 3-amino-3-(2-fluorophenyl)propanoic acid(SALTDATA: FREE)
- 3-Amino-3-(2-fluorophenyl)propanoicacid95%
- Benzenepropanoic acid, b-amino-2-fluoro-
- 3-Amino-3-(2-fluoro-phenyl)propionic acid
- h-d-b-phe(2-f)-oh
- 3-azanyl-3-(2-fluorophenyl)propanoic acid
- H-BETA-PHE(2-F)-OH
- Oprea1_145957
- 2-MORPHOLINYLACETIC ACID
- Beta-3-(2-fluorophenyl)alanine
- BCP11584
- STK138849
- SBB090035
- A809236
- 3-Amino3-(2-fluorophenyl)propanoic acid
- AC-23655
- FT-0772373
- 6R-0642
- AB04657
- MFCD00193241
- AB17783
- SCHEMBL2457680
- J-511562
- 3S-AMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID
- BB 0249696
- 3-amino-3-(2-fluoro-phenyl)-propionic acid, AldrichCPR
- 117391-49-8
- AKOS000192187
- AKOS016045548
- A809237
- SY014543
- CS-0156699
- 3-amino-3-(2-fluorophenyl)propanoicAcid
- FT-0773859
- FT-0677477
- EN300-31480
- AB17720
- Benzenepropanoic acid, beta-amino-2-fluoro-
- 3R-Amino-3-(2-fluoro-phenyl)-propionic acid
- (S)-beta-2-Fluorophenylalanine
- (R)-BETA-2-FLUOROPHENYLALANINE
- DB-061007
- 3-Amino-3-(2-fluorophenyl)propanoic Acid
-
- MDL: MFCD00193241
- Inchi: 1S/C9H10FNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
- InChI Key: RSCLTSJQAQBNCE-UHFFFAOYSA-N
- SMILES: FC1C=CC=CC=1C(CC(=O)O)N
Computed Properties
- Exact Mass: 183.07000
- Monoisotopic Mass: 183.07
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 187
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.3
- XLogP3: -1.9
Experimental Properties
- Density: 1.289
- Melting Point: 222-224
- Boiling Point: 302.6℃ at 760 mmHg
- Flash Point: 136.8℃
- Refractive Index: 1.554
- PSA: 63.32000
- LogP: 2.00050
3-Amino-3-(2-fluorophenyl)propanoic Acid Security Information
- Hazard Statement: Irritant
-
Hazardous Material Identification:
- HazardClass:IRRITANT
3-Amino-3-(2-fluorophenyl)propanoic Acid Customs Data
- HS CODE:2922499990
- Customs Data:
China Customs Code:
2922499990Overview:
2922499990 Other amino acids and their esters and their salts(Except those containing more than one oxygen-containing group). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared
Regulatory conditions:
A.Customs clearance form for Inbound Goods
B.Customs clearance form for outbound goodsInspection and quarantine category:
P.Imported animals and plants\Quarantine of animal and plant products
Q.Outbound animals and plants\Quarantine of animal and plant products
R.Sanitary supervision and inspection of imported food
S.Sanitary supervision and inspection of exported food
M.Import commodity inspection
N.Export commodity inspectionSummary:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%
3-Amino-3-(2-fluorophenyl)propanoic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D850516-5g |
3-Amino-3-(2-fluorophenyl)propanoic Acid |
117391-49-8 | ≥97% | 5g |
¥495.90 | 2022-01-10 | |
| TRC | A576663-50mg |
3-Amino-3-(2-fluorophenyl)propanoic Acid |
117391-49-8 | 50mg |
$ 50.00 | 2022-06-08 | ||
| TRC | A576663-100mg |
3-Amino-3-(2-fluorophenyl)propanoic Acid |
117391-49-8 | 100mg |
$ 65.00 | 2022-06-08 | ||
| TRC | A576663-500mg |
3-Amino-3-(2-fluorophenyl)propanoic Acid |
117391-49-8 | 500mg |
$ 95.00 | 2022-06-08 | ||
| abcr | AB339143-1 g |
3-Amino-3-(2-fluorophenyl)propanoic acid, 95%; . |
117391-49-8 | 95% | 1g |
€105.30 | 2022-06-10 | |
| abcr | AB339143-5 g |
3-Amino-3-(2-fluorophenyl)propanoic acid, 95%; . |
117391-49-8 | 95% | 5g |
€208.90 | 2022-06-10 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY014543-1g |
3-Amino-3-(2-fluorophenyl)propanoic Acid |
117391-49-8 | >97% | 1g |
¥35.0 | 2023-09-15 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY014543-5g |
3-Amino-3-(2-fluorophenyl)propanoic Acid |
117391-49-8 | >97% | 5g |
¥148.0 | 2023-09-15 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY014543-10g |
3-Amino-3-(2-fluorophenyl)propanoic Acid |
117391-49-8 | >97% | 10g |
¥1050.0 | 2023-09-15 | |
| SHANG HAI SHAO YUAN SHI JI Co., Ltd. | SY014543-25g |
4-(Boc-amino)tetrahydropyran-4-carboxylic Acid |
117391-49-8 | >97% | 25g |
¥1265.0 | 2023-09-15 |
3-Amino-3-(2-fluorophenyl)propanoic Acid Related Literature
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
Additional information on 3-Amino-3-(2-fluorophenyl)propanoic Acid
Introduction to 3-Amino-3-(2-fluorophenyl)propanoic Acid (CAS No. 117391-49-8)
3-Amino-3-(2-fluorophenyl)propanoic acid is a significant compound in the field of pharmaceutical chemistry, characterized by its unique structural and functional properties. This molecule, identified by the CAS number 117391-49-8, has garnered attention due to its potential applications in drug development and biochemical research. The presence of both an amino group and a fluorophenyl moiety makes it a versatile intermediate, facilitating the synthesis of more complex molecules with therapeutic relevance.
The compound's structure consists of a propanoic acid backbone substituted with an amino group at the third carbon and a 2-fluorophenyl group at the same position. This arrangement imparts specific electronic and steric properties, making it a valuable building block in medicinal chemistry. The fluorine atom, in particular, is known for its ability to modulate metabolic stability and binding affinity, which are critical factors in drug design.
In recent years, 3-amino-3-(2-fluorophenyl)propanoic acid has been explored in various research avenues, particularly in the development of novel therapeutic agents. Its incorporation into peptidomimetics and protease inhibitors has shown promise in preclinical studies. For instance, derivatives of this compound have been investigated for their potential role in targeting enzymes involved in inflammatory pathways, offering a new perspective for treating chronic inflammatory diseases.
The fluorine substituent in the phenyl ring enhances the compound's interaction with biological targets by improving lipophilicity and reducing susceptibility to enzymatic degradation. This feature has been leveraged in designing small-molecule inhibitors that exhibit improved pharmacokinetic profiles. Furthermore, the amino group provides a site for further functionalization, allowing chemists to tailor the molecule for specific biological activities.
Recent advancements in computational chemistry have also highlighted the significance of 3-amino-3-(2-fluorophenyl)propanoic acid as a scaffold for drug discovery. Molecular modeling studies indicate that this compound can effectively bind to protein targets through multiple interactions, including hydrogen bonding and hydrophobic effects. Such insights have guided the optimization of lead compounds towards higher efficacy and selectivity.
Another area where this compound has found utility is in the synthesis of fluorescent probes for biochemical assays. The fluorophenyl group serves as an optically active moiety, enabling researchers to track molecular interactions in real-time. These probes have been instrumental in studying enzyme mechanisms and cellular processes, contributing to a deeper understanding of biological pathways.
The pharmaceutical industry has also shown interest in 3-amino-3-(2-fluorophenyl)propanoic acid due to its potential as a precursor for antiviral and anticancer agents. Preliminary studies suggest that derivatives of this compound can interfere with viral replication by inhibiting key enzymes involved in viral metabolism. Similarly, its structural features make it a candidate for developing targeted therapies against cancer cells, where specific protease inhibition can disrupt tumor growth.
From a synthetic chemistry perspective, 3-amino-3-(2-fluorophenyl)propanoic acid exemplifies the importance of strategic functional group placement. The combination of an amino group and a fluorinated aromatic ring offers multiple opportunities for chemical modification, enabling the creation of diverse libraries of compounds for high-throughput screening. This flexibility has been exploited in academic and industrial settings to identify novel bioactive molecules with therapeutic potential.
The environmental impact of using 3-amino-3-(2-fluorophenyl)propanoic acid as an intermediate has also been considered. Efforts have been made to develop sustainable synthetic routes that minimize waste and reduce energy consumption. Green chemistry principles have been applied to optimize reaction conditions, ensuring that the production process aligns with ecological standards while maintaining high yields and purity.
In conclusion, 3-amino-3-(2-fluorophenyl)propanoic acid (CAS No. 117391-49-8) is a multifaceted compound with significant implications in pharmaceutical research and development. Its unique structural features and versatile applications make it a valuable asset in designing next-generation therapeutics. As research continues to uncover new possibilities, this molecule is poised to play an increasingly important role in addressing complex medical challenges.
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