Cas no 346704-23-2 ((1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine)

1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine is a structurally distinct amine derivative featuring a benzodioxole and a toluylmethyl moiety. This compound is of interest in synthetic and medicinal chemistry due to its potential as a versatile intermediate for the development of pharmacologically active molecules. The presence of the benzodioxole group may enhance binding affinity in certain biological targets, while the methylbenzyl substituent offers opportunities for further functionalization. Its well-defined molecular structure allows for precise modifications, making it valuable for research applications in drug discovery and ligand design. The compound is typically handled under controlled conditions to ensure stability and purity.
(1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine structure
346704-23-2 structure
Product Name:(1,3-Benzodioxol-5-ylmethyl)(4-methylbenzyl)amine
CAS No:346704-23-2
MF:C16H17NO2
MW:255.311684370041
CID:1085573
PubChem ID:2055175
Update Time:2025-06-07

(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:

    2932999099

    Overview:

    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

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.

Recommended suppliers
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.