Cas no 21956-47-8 (Benzenepropanoic acid, a-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aR)-)
Benzenepropanoic acid, a-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aR)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, a-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aR)-
- (R)-(-)-Littorine Hydrochloride
- Littorine
- 19Q4V37F3R
- (R)-Endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-3-phenylpropanoate
- 1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, 3-phenyl-L-lactate (ester)
- BS-16051
- (R)-(-)-Littorine
- [(1R, 5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-2-hydroxy-3-phenylpropanoate
- 21956-47-8
- BENZENEPROPANOIC ACID, .ALPHA.-HYDROXY-, (3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (.ALPHA.R)-
- R(-)-3.alpha.-(2-Hydroxy-3-phenylpropionyloxy)-tropane
- Benzenepropanoic acid, alpha-hydroxy-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(R)-endo)-
- BENZENEPROPANOIC ACID, .ALPHA.-HYDROXY-, 8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (3(R)-ENDO)-
- D83787
- AKOS030531237
- UNII-19Q4V37F3R
- [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-2-hydroxy-3-phenylpropanoate
- 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-3-phenylpropanoate
- Q6653346
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (2R)-2-hydroxy-3-phenylpropanoate
- DTXSID20944553
- CHEBI:6506
- SCHEMBL24475294
- [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-2-hydroxy-3-phenylpropanoate
- DA-65015
-
- Inchi: 1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1
- InChI Key: FNRXUEYLFZLOEZ-VFSICIBPSA-N
- SMILES: O(C([C@@H](CC1C=CC=CC=1)O)=O)C1C[C@@H]2CC[C@H](C1)N2C
Computed Properties
- Exact Mass: 289.16789
- Monoisotopic Mass: 289.168
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 353
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49.8A^2
- XLogP3: 2.7
Experimental Properties
- Color/Form: Powder
- Density: 1.205
- Boiling Point: 464°Cat760mmHg
- Flash Point: 234.4°C
- Refractive Index: 1.583
- PSA: 49.77
Benzenepropanoic acid, a-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aR)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TargetMol Chemicals | T32800-5 mg |
Littorine |
21956-47-8 | 98% | 5mg |
¥ 7,000 | 2023-07-11 | |
| TargetMol Chemicals | T32800-5mg |
Littorine |
21956-47-8 | 98% | 5mg |
¥ 7000 | 2023-09-15 | |
| PhytoLab | 84100-50mg |
Littorine hydrochloride |
21956-47-8 | ≥ 90.0 % | 50mg |
€747.0000000000001 | 2023-10-25 | |
| PhytoLab | 84100-250mg |
Littorine hydrochloride |
21956-47-8 | ≥ 90.0 % | 250mg |
€3527.5 | 2023-10-25 | |
| PhytoLab | 84100-500mg |
Littorine hydrochloride |
21956-47-8 | ≥ 90.0 % | 500mg |
€6640 | 2023-10-25 | |
| PhytoLab | 84100-1000mg |
Littorine hydrochloride |
21956-47-8 | ≥ 90.0 % | 1000mg |
€12450 | 2023-10-25 | |
| A2B Chem LLC | AB21481-10mg |
(R)-Endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-3-phenylpropanoate |
21956-47-8 | 95%+ | 10mg |
$344.00 | 2024-04-20 | |
| A2B Chem LLC | AB21481-25mg |
(R)-Endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-3-phenylpropanoate |
21956-47-8 | 95%+ | 25mg |
$707.00 | 2024-04-20 | |
| A2B Chem LLC | AB21481-100mg |
(R)-Endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-3-phenylpropanoate |
21956-47-8 | 95%+ | 100mg |
$1385.00 | 2024-04-20 | |
| TargetMol Chemicals | T32800-25mg |
Littorine |
21956-47-8 | 25mg |
¥ 10600 | 2024-07-20 |
Benzenepropanoic acid, a-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aR)- Related Literature
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
Additional information on Benzenepropanoic acid, a-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aR)-
Comprehensive Analysis of Benzenepropanoic acid, a-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aR)- (CAS No. 21956-47-8)
The compound Benzenepropanoic acid, a-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aR)- (CAS No. 21956-47-8) is a structurally complex molecule that has garnered significant attention in pharmaceutical and biochemical research. Its unique 8-azabicyclo[3.2.1]octane scaffold and ester linkage make it a subject of interest for drug development, particularly in targeting neurological and metabolic pathways. Researchers are increasingly exploring its potential as a precursor for novel therapeutics, aligning with the growing demand for innovative small-molecule drugs.
One of the key features of Benzenepropanoic acid, a-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aR)- is its stereospecific configuration, denoted by the (aR)- descriptor. This chiral center plays a critical role in its biological activity, as enantiopure compounds often exhibit higher efficacy and fewer side effects. This aligns with current trends in precision medicine, where chiral synthesis and stereoselective catalysis are hot topics in organic chemistry. The compound’s a-hydroxy group further enhances its reactivity, making it a versatile intermediate for derivatization.
In the context of drug discovery, the 8-methyl-8-azabicyclo[3.2.1]octane moiety is particularly noteworthy. This bicyclic structure is reminiscent of tropane alkaloids, which are known for their pharmacological properties. As such, CAS No. 21956-47-8 is often studied for its potential interactions with neurotransmitter receptors, a topic of high relevance given the rising prevalence of neurological disorders. Searches for "neuroactive small molecules" and "tropane derivatives" have surged in recent years, reflecting the scientific community’s interest in this area.
The ester linkage in Benzenepropanoic acid, a-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aR)- also opens doors for prodrug applications. Prodrugs are a major focus in modern pharmacology, as they improve bioavailability and reduce toxicity. This compound’s ability to undergo enzymatic hydrolysis in vivo could make it a candidate for sustained-release formulations, a frequently searched term in pharmaceutical forums. Additionally, its benzenepropanoic acid backbone is structurally similar to nonsteroidal anti-inflammatory drugs (NSAIDs), hinting at potential anti-inflammatory properties.
From a synthetic chemistry perspective, the preparation of CAS No. 21956-47-8 involves sophisticated techniques such as asymmetric synthesis and ring-closing metathesis. These methods are widely discussed in academic circles, with many researchers seeking information on "efficient bicyclic compound synthesis" and "chiral esterification protocols." The compound’s complexity also makes it a valuable case study for advanced NMR and mass spectrometry characterization, techniques that are essential for quality control in drug manufacturing.
Environmental and regulatory considerations are another angle of interest. While Benzenepropanoic acid, a-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aR)- is not classified as hazardous, its biodegradation pathways and ecotoxicological profile are subjects of ongoing research. Queries like "green chemistry approaches for complex esters" and "biodegradable pharmaceutical intermediates" are increasingly common, reflecting a shift toward sustainable practices in chemical synthesis.
In summary, Benzenepropanoic acid, a-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aR)- (CAS No. 21956-47-8) represents a multifaceted compound with broad applications in medicinal chemistry and drug development. Its unique structure, combined with current scientific trends, positions it as a valuable subject for further investigation. Whether for neurological research, prodrug design, or sustainable synthesis, this molecule continues to captivate researchers and industry professionals alike.
21956-47-8 (Benzenepropanoic acid, a-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aR)-) Related Products
- 456-59-7(Cyclandelate)
- 51-34-3(Scopolamine)
- 55-48-1(Atropine sulfate)
- 51-55-8(Atropine)
- 101-31-5(L-Hyoscyamine)
- 77-23-6(pentoxyverine)
- 87-00-3((1R,3R,5S)-8-methyl-8-azabicyclo3.2.1octan-3-yl 2-hydroxy-2-phenylacetate)
- 132-17-2(Benztropine mesylate)
- 121-39-1(Ethyl 3-phenylglycidate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)