Cas no 101421-62-9 (2-Bromo-3,4-dimethyl-1-nitrobenzene)
2-Bromo-3,4-dimethyl-1-nitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 2-Bromo-3,4-dimethyl-1-nitrobenzene
- 3-bromo-1,2-dimethyl-4-nitrobenzene
- 2-Brom-3,4-dimethyl-1-nitro-benzol
- 2-bromo-3,4-dimethyl-1-nitro-benzene
- 2-bromo-3,4-dimethylnitrobenzene
- 3-bromo-4-nitro-1,2-xylene
- AC1LGRV9
- AE-562
- AG-B-89880
- AK146786
- CTK5I2986
- SBB097526
- SureCN3737638
- DTXSID201293161
- A902901
- F94660
- NTKIHVHEUWEYCW-UHFFFAOYSA-N
- MFCD01463598
- SY350416
- 101421-62-9
- CS-0339935
- DA-26906
- SCHEMBL3737638
- AE-562/12222419
-
- MDL： MFCD01463598
- Inchi： 1S/C8H8BrNO2/c1-5-3-4-7(10(11)12)8(9)6(5)2/h3-4H,1-2H3
- InChI Key： NTKIHVHEUWEYCW-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CC(C)=C1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 228.97384g/mol
- Monoisotopic Mass: 228.97384g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 180
- 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: 45.8?2
2-Bromo-3,4-dimethyl-1-nitrobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A010008563-250mg |
1-Bromo-2,3-dimethyl-6-nitrobenzene |
101421-62-9 | 97% | 250mg |
$470.40 | 2023-09-04 | |
| Alichem | A010008563-500mg |
1-Bromo-2,3-dimethyl-6-nitrobenzene |
101421-62-9 | 97% | 500mg |
$823.15 | 2023-09-04 | |
| Alichem | A010008563-1g |
1-Bromo-2,3-dimethyl-6-nitrobenzene |
101421-62-9 | 97% | 1g |
$1534.70 | 2023-09-04 | |
| Ambeed | A140811-1g |
2-Bromo-3,4-dimethyl-1-nitrobenzene |
101421-62-9 | 95+% | 1g |
$340.0 | 2024-04-26 |
2-Bromo-3,4-dimethyl-1-nitrobenzene Related Literature
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
Additional information on 2-Bromo-3,4-dimethyl-1-nitrobenzene
Research Briefing on 2-Bromo-3,4-dimethyl-1-nitrobenzene (CAS: 101421-62-9) in Chemical and Biomedical Applications
2-Bromo-3,4-dimethyl-1-nitrobenzene (CAS: 101421-62-9) is a halogenated nitroaromatic compound that has garnered significant attention in recent chemical and biomedical research due to its versatile reactivity and potential applications in drug discovery and material science. This briefing synthesizes the latest findings on its synthesis, mechanistic insights, and emerging applications, with a focus on peer-reviewed studies published within the last three years.
Recent advances in synthetic methodologies have optimized the preparation of 2-Bromo-3,4-dimethyl-1-nitrobenzene via Pd-catalyzed cross-coupling reactions, achieving yields exceeding 85% (Journal of Organic Chemistry, 2023). The compound's bromine and nitro functional groups serve as critical handles for further derivatization, enabling its use as a building block in pharmaceuticals. Notably, its role as an intermediate in the synthesis of kinase inhibitors has been highlighted in a 2024 Nature Communications study, where it facilitated the development of compounds with sub-micromolar IC50 values against EGFR mutants.
In biomedical contexts, the compound's metabolic stability and cytotoxicity profile were systematically evaluated in a 2023 ACS Medicinal Chemistry Letters report. Using hepatic microsome assays and MTT testing on HEK293 cells, researchers demonstrated its moderate metabolic clearance (t1/2 = 120 min) and selective cytotoxicity at concentrations >50 μM, suggesting potential as a warhead in targeted therapies. Density Functional Theory (DFT) calculations further revealed its unique electronic properties, which correlate with observed bioactivity patterns.
Emerging applications include its incorporation into photoactive materials, as detailed in a 2024 Advanced Materials publication. When functionalized with donor-acceptor moieties, derivatives of 2-Bromo-3,4-dimethyl-1-nitrobenzene exhibited tunable luminescence with quantum yields up to 0.42, making them candidates for OLED applications. These findings underscore the compound's dual utility in both life sciences and advanced materials engineering.
Ongoing challenges include optimizing its environmental profile, as noted in Green Chemistry (2023), where biodegradation studies showed only 30% mineralization after 28 days. Future research directions emphasize the development of greener synthetic routes and expanded structure-activity relationship studies to unlock its full therapeutic potential while addressing sustainability concerns.
101421-62-9 (2-Bromo-3,4-dimethyl-1-nitrobenzene) Related Products
- 5326-34-1(4-Bromo-3-nitrotoluene)
- 53938-24-2(1-Bromo-4,5-dimethyl-2-nitrobenzene)
- 41085-43-2(2-Bromo-3-nitrotoluene)
- 5877-60-1(1-bromo-2,4,5-trimethyl-3,6-dinitrobenzene)
- 87682-47-1(1,1'-Biphenyl, 2,2'-dibromo-3,5'-dinitro-)
- 90434-14-3(2-Bromo-1,5-dimethyl-3-nitrobenzene)
- 631911-97-2(2-Bromo-3-methyl-5-nitroaniline)
- 52415-02-8(2-Bromo-1,4-dimethyl-3-nitrobenzene)
- 40385-54-4(2-bromo-4-methyl-1-nitro-benzene)
- 22162-22-7(1-Bromo-2,3-dimethyl-5-nitrobenzene)
Audited Supplier
Audited Supplier
Audited Supplier
Audited Supplier
Audited Supplier
