Cas no 346704-23-2 ((1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine)
(1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine Chemical and Physical Properties
Names and Identifiers
-
- 1-(Benzo[d][1,3]dioxol-5-yl)-N-(4-methylbenzyl)methanamine
- (1,3-benzodioxol-5-ylmethyl)(4-methylbenzyl)amine(SALTDATA: HBr)
- N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methylphenyl)methanamine
- HMS1371E21
- HMS2848J18
- CCG-19142
- (2H-1,3-BENZODIOXOL-5-YLMETHYL)[(4-METHYLPHENYL)METHYL]AMINE
- 346704-23-2
- AKOS000554217
- SMR000518110
- N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylbenzyl)amine
- MLS001213039
- STK127515
- CHEMBRDG-BB 5542722
- DTXSID40366051
- DB-179040
- AB00088227-01
- 1-(1,3-benzodioxol-5-yl)-N-(4-methylbenzyl)methanamine
- 1-(2H-1,3-Benzodioxol-5-yl)-N-[(4-methylphenyl)methyl]methanamine
- [(2H-1,3-BENZODIOXOL-5-YL)METHYL][(4-METHYLPHENYL)METHYL]AMINE
- ChemDiv2_000813
- CHEMBL1332595
- SCHEMBL19392289
- (1,3-BENZODIOXOL-5-YLMETHYL)(4-METHYLBENZYL)AMINE
- AT-057/13360196
- Benzo[1,3]dioxol-5-ylmethyl-(4-methyl-benzyl)-amine
- Oprea1_540217
- (1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine
-
- MDL: MFCD01655153
- Inchi: 1S/C16H17NO2/c1-12-2-4-13(5-3-12)9-17-10-14-6-7-15-16(8-14)19-11-18-15/h2-8,17H,9-11H2,1H3
- InChI Key: ZVNDYCMEZPKSHC-UHFFFAOYSA-N
- SMILES: O1COC2=CC=C(C=C12)CNCC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 255.12600
- Monoisotopic Mass: 255.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 276
- 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: 3.2
- Topological Polar Surface Area: 30.5?2
Experimental Properties
- PSA: 30.49000
- LogP: 3.40440
(1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine Customs Data
- HS CODE:2932999099
- Customs Data:
China Customs Code:
2932999099Overview:
2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
(1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B410695-50mg |
(1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine |
346704-23-2 | 50mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B410695-100mg |
(1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine |
346704-23-2 | 100mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B410695-500mg |
(1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine |
346704-23-2 | 500mg |
$ 80.00 | 2022-06-07 | ||
| A2B Chem LLC | AD43087-5mg |
(1,3-BENZODIOXOL-5-YLMETHYL)(4-METHYLBENZYL)AMINE |
346704-23-2 | 95% | 5mg |
$257.00 | 2024-04-20 | |
| A2B Chem LLC | AD43087-10mg |
(1,3-BENZODIOXOL-5-YLMETHYL)(4-METHYLBENZYL)AMINE |
346704-23-2 | 95% | 10mg |
$285.00 | 2024-04-20 | |
| A2B Chem LLC | AD43087-20mg |
(1,3-BENZODIOXOL-5-YLMETHYL)(4-METHYLBENZYL)AMINE |
346704-23-2 | 95% | 20mg |
$300.00 | 2024-04-20 | |
| A2B Chem LLC | AD43087-50mg |
(1,3-BENZODIOXOL-5-YLMETHYL)(4-METHYLBENZYL)AMINE |
346704-23-2 | 95% | 50mg |
$413.00 | 2024-04-20 |
(1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
Additional information on (1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine
Professional Introduction to (1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine (CAS No. 346704-23-2)
In the realm of chemical and pharmaceutical research, the compound identified by the CAS number 346704-23-2 and the product name (1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine has garnered significant attention due to its unique structural properties and potential applications. This compound, belonging to the class of amine derivatives, exhibits a distinct molecular architecture that has positioned it as a subject of interest in various biochemical and pharmacological studies. The presence of both a 1,3-benzodioxol moiety and a 4-methylbenzyl group contributes to its complex reactivity and makes it a valuable candidate for further investigation in drug discovery and molecular chemistry.
The 1,3-benzodioxol scaffold, also known as the tetrahydrofuranone ring system, is well-documented for its role in numerous bioactive molecules. This moiety is often associated with properties such as antioxidant activity and neuropharmacological effects, making it a popular component in the synthesis of potential therapeutic agents. In contrast, the 4-methylbenzyl group introduces a lipophilic character to the molecule, which can enhance its solubility and bioavailability. The combination of these features suggests that this compound may exhibit a range of biological activities that could be exploited for medicinal purposes.
Recent advancements in computational chemistry have enabled researchers to predict the pharmacokinetic profiles of such compounds with greater accuracy. Studies utilizing molecular docking simulations have indicated that (1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine may interact with various biological targets, including enzymes and receptors involved in pain modulation and inflammation. These interactions are particularly relevant given the ongoing research into novel anti-inflammatory agents that could offer alternatives to traditional treatments.
In vitro experiments have begun to explore the potential of this compound as a modulator of neurotransmitter systems. The 1,3-benzodioxol moiety is known to exhibit structural similarities with certain psychoactive compounds, which has prompted investigations into its potential effects on central nervous system function. Preliminary findings suggest that it may influence the activity of serotonin receptors, which are implicated in mood regulation and anxiety disorders. However, further research is necessary to fully elucidate its mechanism of action and assess its therapeutic potential.
The synthesis of this compound presents an interesting challenge due to the necessity of maintaining the integrity of both functional groups. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions, have been employed to construct the desired molecular framework efficiently. These techniques not only enhance yield but also allow for modifications that could fine-tune biological activity. The development of robust synthetic routes is crucial for scaling up production and conducting more extensive pharmacological studies.
As interest in natural product-inspired molecules grows, compounds like (1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine are being revisited for their potential inspiration from bioactive natural products. The structural motif reminiscent of certain alkaloids has prompted researchers to explore its derivatives as possible leads for new drugs. By leveraging computational tools alongside traditional experimental approaches, scientists are identifying promising analogs that could offer improved efficacy and reduced side effects.
Regulatory considerations also play a significant role in the development of new chemical entities. While this compound does not fall under any specific regulatory categories that would restrict its research use, adherence to good laboratory practices (GLP) is essential for ensuring data integrity and compliance with ethical standards. As clinical trials become a reality for promising candidates derived from such studies, collaboration between academic institutions and pharmaceutical companies will be vital for translating laboratory findings into viable therapeutic options.
The future directions for research on this compound include exploring its interactions with other biological pathways and assessing its suitability for combination therapies. Given the multifaceted nature of many diseases, compounds that can target multiple pathways simultaneously may offer significant advantages over single-target agents. Additionally, investigating its environmental impact and biodegradability will be important considerations as sustainable chemistry becomes an increasingly integral part of drug development.
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