Cas no 101333-98-6 (1,3-benzoxazol-2-ylmethanamine)
1,3-benzoxazol-2-ylmethanamine Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzoxazolemethanamine
- 2-(Aminomethyl)benzoxazole
- (Benzo[d]oxazol-2-yl)methanamine
- 1,3-benzoxazol-2-ylmethanamine
- benzo[d]oxazol-2-ylmethanamine
- (1,3-benzoxazol-2-ylmethyl)amine(SALTDATA: 0.95HCl)
- 1,3-benzoxazol-2-ylmethylamine
- 1,3-benzoxazol-2-ylmethylamine hydrochloride
- 2-Aminomethyl-benzooxazole
- benzoxazol-2-ylmethylamine
- C-Benzooxazol-2-yl-methylamine
- CHEMBRDG-BB 4101049
- 2-(Methanamine)benzoxazole
- 1-(1,3-benzoxazol-2-yl)MethanaMine
- (Benzo[d]oxazol-2-yl)methanamine hydrochloride
- benzo[d]oxazol-2-ylmethylamine
- FT-0645694
- CS-11618
- 101333-98-6
- CHEMBL4548022
- W-204632
- YKUMWOOPDHGKIR-UHFFFAOYSA-N
- (1,3-BENZOXAZOL-2-YLMETHYL)AMINE
- AKOS000282839
- 2-AMINOMETHYLBENZOXAZOLE
- SCHEMBL1786789
- AC2205
- BB 0240929
- (1,3-benzoxazol-2-yl)methanamine
- Benzo[d]oxazol-2-yl-methanamine
- EN300-100459
- AB16902
- CS-0034909
- DTXSID50362842
- SY026571
- MFCD03990563
- ALBB-005882
- DB-058593
- STK503592
-
- MDL: MFCD03990563
- Inchi: 1S/C8H8N2O/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2
- InChI Key: YKUMWOOPDHGKIR-UHFFFAOYSA-N
- SMILES: O1C(CN)=NC2C=CC=CC1=2
Computed Properties
- Exact Mass: 148.06400
- Monoisotopic Mass: 148.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 140
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.7
- Topological Polar Surface Area: 52A^2
Experimental Properties
- Density: 1.239
- Boiling Point: 246.7°C at 760 mmHg
- Flash Point: 103°C
- Refractive Index: 1.637
- PSA: 52.05000
- LogP: 1.98680
1,3-benzoxazol-2-ylmethanamine Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. 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:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1,3-benzoxazol-2-ylmethanamine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 56R0279-1g |
C-Benzooxazol-2-yl-methylamine |
101333-98-6 | 96% | 1g |
1187.26CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 56R0279-5g |
C-Benzooxazol-2-yl-methylamine |
101333-98-6 | 96% | 5g |
3901CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 56R0279-500mg |
C-Benzooxazol-2-yl-methylamine |
101333-98-6 | 96% | 500mg |
1017.65CNY | 2021-05-08 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D853532-1g |
2-(Aminomethyl)benzoxazole |
101333-98-6 | 97% | 1g |
¥2,698.20 | 2022-01-11 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | A97120-1g |
1,3-benzoxazol-2-ylmethanamine |
101333-98-6 | 97% | 1g |
¥4839.0 | 2022-04-28 | |
| SHANG HAI XIANG HUI YI YAO Technology Co., Ltd. | CB15833-1g |
1,3-benzoxazol-2-ylmethanamine |
101333-98-6 | 97% | 1g |
2503.00 | 2021-07-04 | |
| Fluorochem | 048105-1g |
2-Aminomethyl-benzooxazole |
101333-98-6 | 97% | 1g |
£511.00 | 2022-03-01 | |
| Fluorochem | 048105-10g |
2-Aminomethyl-benzooxazole |
101333-98-6 | 97% | 10g |
£2246.00 | 2022-03-01 | |
| Apollo Scientific | OR470756-250mg |
2-(Aminomethyl)benzoxazole |
101333-98-6 | 250mg |
£210.00 | 2023-09-02 | ||
| Apollo Scientific | OR470756-1g |
2-(Aminomethyl)benzoxazole |
101333-98-6 | 1g |
£490.00 | 2023-09-02 |
1,3-benzoxazol-2-ylmethanamine Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Benzoxazoles Benzoxazoles
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Benzoxazoles
- Solvents and Organic Chemicals Organic Compounds Amines/Sulfonamides
- Solvents and Organic Chemicals Organic Compounds
Additional information on 1,3-benzoxazol-2-ylmethanamine
Comprehensive Overview of 1,3-Benzoxazol-2-ylmethanamine (CAS No. 101333-98-6): Properties, Applications, and Industry Insights
1,3-Benzoxazol-2-ylmethanamine (CAS No. 101333-98-6) is a specialized organic compound belonging to the benzoxazole family, a class of heterocyclic compounds widely recognized for their versatility in pharmaceutical, agrochemical, and material science applications. This compound, characterized by its benzoxazole core and an aminomethyl functional group, has garnered significant attention due to its unique structural features and potential utility in drug discovery and catalysis. Researchers and industry professionals frequently search for terms like "1,3-benzoxazol-2-ylmethanamine synthesis," "CAS 101333-98-6 applications," and "benzoxazole derivatives in medicine," reflecting its growing relevance in interdisciplinary fields.
The molecular structure of 1,3-benzoxazol-2-ylmethanamine combines a benzoxazole ring with a reactive primary amine group, making it a valuable intermediate for constructing more complex molecules. Its CAS No. 101333-98-6 serves as a unique identifier in chemical databases, ensuring precise tracking in regulatory and research contexts. Recent trends highlight its exploration in neurological drug candidates, where benzoxazole derivatives are studied for modulating neurotransmitter systems. Additionally, its role in fluorescent probes and coordination chemistry aligns with the rising demand for bioimaging agents and metal-organic frameworks (MOFs).
From a synthetic perspective, 1,3-benzoxazol-2-ylmethanamine can be prepared via cyclization reactions involving 2-aminophenol derivatives or through post-functionalization of preformed benzoxazole scaffolds. Optimizing its yield and purity is a common focus in organic chemistry forums, with queries such as "how to purify 1,3-benzoxazol-2-ylmethanamine" and "scalable synthesis of benzoxazole amines" frequently appearing in academic discussions. The compound’s solubility in polar solvents (e.g., DMSO, ethanol) and stability under ambient conditions further enhance its practicality in laboratory settings.
In the pharmaceutical sector, 1,3-benzoxazol-2-ylmethanamine derivatives are investigated for their bioactive potential, particularly in targeting G-protein-coupled receptors (GPCRs) and enzyme inhibitors. For instance, structural analogs have shown promise in preclinical studies for neurodegenerative diseases and inflammatory conditions, topics trending in biomedical research. Environmental scientists also explore its degradation pathways to address concerns about persistent organic pollutants (POPs), a hot-button issue in green chemistry initiatives.
The commercial availability of CAS No. 101333-98-6 through specialty chemical suppliers underscores its industrial relevance. However, challenges such as cost-effective production and regulatory compliance remain critical discussion points. Innovations in continuous flow chemistry and catalytic methods are poised to address these gaps, as evidenced by patents and publications emphasizing atom economy and waste reduction.
Looking ahead, the intersection of computational chemistry and experimental data is expected to accelerate the development of 1,3-benzoxazol-2-ylmethanamine-based materials. Searches for "QSAR studies on benzoxazole amines" and "machine learning in heterocyclic compound design" reflect this paradigm shift. As sustainability gains traction, bio-based routes to synthesize such compounds may emerge, aligning with global goals like the UN Sustainable Development Goals (SDGs).
In summary, 1,3-benzoxazol-2-ylmethanamine (CAS No. 101333-98-6) exemplifies the dynamic interplay between structural chemistry and applied science. Its multifaceted applications—from medicinal chemistry to advanced materials—coupled with ongoing research into its mechanistic pathways, ensure its continued prominence in scientific and industrial arenas. Stakeholders are encouraged to monitor advancements in patent filings and collaborative research to leverage its full potential.
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