Cas no 157197-53-0 (1,3-Di-t-butylimidazol-2-ylidene)
1,3-Di-t-butylimidazol-2-ylidene Chemical and Physical Properties
Names and Identifiers
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- 1,3-Di-tert-butyl-1H-imidazol-3-ium-2-ide
- 1,3-Di-tert-butylimidazol-2-ylidene
- 1,3-Di-t-butylimidazol-2-ylidene
- 1,3-ditert-butyl-2H-imidazol-1-ium-2-ide
- 2H-Imidazol-2-ylidene,1,3-bis(1,1-dimethylethyl)-1,3-dihydro-
- 1,3-di-tert-butyl-1,3-imidazol-2-ylidene
- 1.3-di-tetrt-butyl-1,3-imidazol-2-ylidene
- ItBu
- N,N'-di-tert-butylimidazolin-2-ylidene
- 1,3-Bis-tert-butylimidazol-2-ylidene
- 1,3-Di-tert-butyl-1,3-dihydro-2H-imidazol-2-ylidene
- 1,3-Di-tert-butyl-4-imidazolin-2-ylidene
- 1,3-Di-tert-butylimidazolin-2-ylidene
- 1,3-BIS-(TERT-BUTYL)IMIDAZOLE (FREE C&
- 1,3-Di-t-butylimidazol-2-ylidene,98%
- 1,3-Di-t-butylimidazol-2-ylidene,min.98%
- 7873AA
- SC11706
- AX8244485
- D3472
- MFCD03788921
- DTXSID20449891
- AS-65263
- A907664
- 157197-53-0
- AKOS016000611
- 1,3-DI-TERT-BUTYLIMIDAZOL-1-IUM-2-IDE
-
- MDL: MFCD03788921
- Inchi: 1S/C11H20N2/c1-10(2,3)12-7-8-13(9-12)11(4,5)6/h7-8H,1-6H3
- InChI Key: FENRCIKTFREPGS-UHFFFAOYSA-N
- SMILES: [N+]1(=[C-]N(C=C1)C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 180.16300
- Monoisotopic Mass: 180.162648646g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 222
- 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: 1.9
- Topological Polar Surface Area: 6.2
Experimental Properties
- Color/Form: Not available
- Melting Point: 71-72°C
- Boiling Point: 233.32°C at 760 mmHg
- Flash Point: 86.27°C
- PSA: 6.48000
- LogP: 2.25790
- Sensitiveness: air sensitive, moisture sensitive, store cold
- Solubility: Not available
- Vapor Pressure: 0.1±0.5 mmHg at 25°C
1,3-Di-t-butylimidazol-2-ylidene Security Information
-
Symbol:
- Prompt:warning
- Signal Word:warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Category Code: 36/37/38
- Safety Instruction: S26; S36/37/39
- Storage Condition:<0°C
- Risk Phrases:R36/37/38
1,3-Di-t-butylimidazol-2-ylidene Customs Data
- HS CODE:2933290090
- Customs Data:
China Customs Code:
2933290090Overview:
2933290090. Other compounds with non fused imidazole ring in structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1,3-Di-t-butylimidazol-2-ylidene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | EI420-1g |
1,3-Di-t-butylimidazol-2-ylidene |
157197-53-0 | 98.0%(T) | 1g |
¥1951.0 | 2022-06-10 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | EI420-100mg |
1,3-Di-t-butylimidazol-2-ylidene |
157197-53-0 | 98.0%(T) | 100mg |
¥404.0 | 2022-06-10 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D823768-1g |
1,3-Di-tert-butylimidazol-2-ylidene |
157197-53-0 | 98% | 1g |
¥1,576.00 | 2022-10-10 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | D3472-5G |
1,3-Di-tert-butylimidazol-2-ylidene |
157197-53-0 | >98.0%(T) | 5g |
¥4800.00 | 2024-04-17 | |
| Chemenu | CM187429-5g |
1,3-di-tert-butyl-1H-imidazol-3-ium-2-ide |
157197-53-0 | 95% | 5g |
$491 | 2021-08-05 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D823768-250mg |
1,3-Di-tert-butylimidazol-2-ylidene |
157197-53-0 | 98% | 250mg |
¥426.00 | 2022-10-10 | |
| TRC | D429408-10mg |
1,3-Di-t-butylimidazol-2-ylidene |
157197-53-0 | 10mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D429408-50mg |
1,3-Di-t-butylimidazol-2-ylidene |
157197-53-0 | 50mg |
$ 65.00 | 2022-06-05 | ||
| TRC | D429408-100mg |
1,3-Di-t-butylimidazol-2-ylidene |
157197-53-0 | 100mg |
$ 80.00 | 2022-06-05 | ||
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | D138310-1g |
1,3-Di-t-butylimidazol-2-ylidene |
157197-53-0 | ≥98.0% | 1g |
¥1070.90 | 2023-09-03 |
1,3-Di-t-butylimidazol-2-ylidene Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
Additional information on 1,3-Di-t-butylimidazol-2-ylidene
Professional Introduction to Compound with CAS No. 157197-53-0 and Product Name: 1,3-Di-t-butylimidazol-2-ylidene
The compound with the CAS number 157197-53-0 and the product name 1,3-Di-t-butylimidazol-2-ylidene represents a significant advancement in the field of organic chemistry and pharmaceutical research. This compound, characterized by its unique structural framework, has garnered considerable attention due to its potential applications in various chemical and biological processes. The presence of two tert-butyl groups at the 1 and 3 positions of the imidazole ring imparts distinct electronic and steric properties, making it a versatile intermediate in synthetic chemistry.
1,3-Di-t-butylimidazol-2-ylidene is particularly noteworthy for its role as a ligand in coordination chemistry. The steric bulk provided by the tert-butyl groups enhances the compound's ability to stabilize metal centers, facilitating the development of novel catalysts and coordination complexes. These complexes have shown promise in various catalytic transformations, including cross-coupling reactions and oxidation processes, which are pivotal in the synthesis of complex organic molecules.
Recent research has highlighted the compound's utility in pharmaceutical applications. The imidazole core is a common motif in many bioactive molecules, and modifications at the 2-position can significantly influence pharmacological properties. Studies have demonstrated that 1,3-Di-t-butylimidazol-2-ylidene can serve as a precursor for synthesizing imidazole-based drugs that exhibit antimicrobial and anti-inflammatory activities. The tert-butyl groups not only enhance metabolic stability but also improve binding affinity to biological targets, making this compound an attractive scaffold for drug discovery.
In addition to its pharmaceutical potential, 1,3-Di-t-butylimidazol-2-ylidene has been explored in materials science. Its ability to form stable complexes with transition metals has led to the development of new materials with unique electronic properties. These materials are being investigated for their applications in organic electronics, such as organic light-emitting diodes (OLEDs) and photovoltaic devices. The steric hindrance provided by the tert-butyl groups helps in tuning the electronic characteristics of these materials, leading to improved performance.
The synthesis of 1,3-Di-t-butylimidazol-2-ylidene involves a series of well-defined chemical reactions that highlight its synthetic versatility. The introduction of tert-butyl groups at the 1 and 3 positions of the imidazole ring typically involves nucleophilic substitution reactions or metal-catalyzed cross-coupling reactions. These synthetic strategies have been optimized to ensure high yields and purity, making the compound readily available for further functionalization.
One of the most compelling aspects of 1,3-Di-t-butylimidazol-2-ylidene is its role as a building block for more complex structures. Researchers have leveraged its reactivity to construct intricate molecular architectures with tailored properties. For instance, it has been used to synthesize macrocyclic ligands that exhibit high selectivity in binding metal ions or organic substrates. These macrocyclic compounds have found applications in sensors and separation technologies.
The compound's stability under various conditions is another key feature that contributes to its broad applicability. The tert-butyl groups provide protection against unwanted side reactions, allowing for prolonged storage and multiple synthetic manipulations without degradation. This stability is particularly important in industrial settings where consistency and reliability are paramount.
In conclusion, 1,3-Di-t-butylimidazol-2-ylidene (CAS No. 157197-53-0) represents a cornerstone in modern chemical research. Its unique structural features enable diverse applications across pharmaceuticals, materials science, and catalysis. As research continues to uncover new methodologies and applications for this compound, its significance is expected to grow further, solidifying its place as a valuable tool in the chemist's arsenal.
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