Cas no 847744-26-7 (2-(2-Bromo-4,5-diethoxyphenyl)acetonitrile)
2-(2-Bromo-4,5-diethoxyphenyl)acetonitrile is a brominated phenylacetonitrile derivative featuring diethoxy substituents at the 4- and 5-positions. This compound serves as a versatile intermediate in organic synthesis, particularly in the construction of complex heterocycles and pharmaceutical scaffolds. The bromine atom at the 2-position enhances reactivity for cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, while the electron-donating diethoxy groups influence its electronic properties. The nitrile functionality offers further derivatization potential, enabling conversion to carboxylic acids, amides, or tetrazoles. Its well-defined structure and functional group compatibility make it valuable for medicinal chemistry and materials science applications, where precise molecular modifications are required.
847744-26-7 structure
Product Name:2-(2-Bromo-4,5-diethoxyphenyl)acetonitrile
CAS No:847744-26-7
MF:C12H14BrNO2
MW:284.149062633514
CID:844265
PubChem ID:4962639
Update Time:2025-06-06
2-(2-Bromo-4,5-diethoxyphenyl)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- (2-BROMO-4,5-DIETHOXYPHENYL)ACETONITRILE
- DTXSID501277889
- (2-Bromo-4,5-diethoxyphenyl)-acetonitrile
- AKOS027427149
- SR-01000071135
- HMS1746O19
- J-500651
- Z94601326
- 2-Bromo-4,5-diethoxybenzeneacetonitrile
- 2-(2-bromo-4,5-diethoxyphenyl)acetonitrile
- 847744-26-7
- EN300-13769
- SR-01000071135-1
- CS-0233998
- G31792
- UVTUFXSNVAFMGD-UHFFFAOYSA-N
- 2-(2-Bromo-4,5-diethoxyphenyl)acetonitrile
-
- MDL： MFCD07324821
- Inchi： 1S/C12H14BrNO2/c1-3-15-11-7-9(5-6-14)10(13)8-12(11)16-4-2/h7-8H,3-5H2,1-2H3
- InChI Key： UVTUFXSNVAFMGD-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C(C=C1CC#N)OCC)OCC
Computed Properties
- Exact Mass: 283.02079g/mol
- Monoisotopic Mass: 283.02079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 251
- 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: 2.9
- Topological Polar Surface Area: 42.2?2
2-(2-Bromo-4,5-diethoxyphenyl)acetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B626075-25mg |
2-(2-Bromo-4,5-diethoxyphenyl)acetonitrile |
847744-26-7 | 25mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B626075-50mg |
2-(2-Bromo-4,5-diethoxyphenyl)acetonitrile |
847744-26-7 | 50mg |
$ 70.00 | 2022-06-07 | ||
| TRC | B626075-250mg |
2-(2-Bromo-4,5-diethoxyphenyl)acetonitrile |
847744-26-7 | 250mg |
$ 230.00 | 2022-06-07 | ||
| Enamine | EN300-13769-0.05g |
2-(2-bromo-4,5-diethoxyphenyl)acetonitrile |
847744-26-7 | 95% | 0.05g |
$37.0 | 2023-02-09 | |
| Enamine | EN300-13769-0.1g |
2-(2-bromo-4,5-diethoxyphenyl)acetonitrile |
847744-26-7 | 95% | 0.1g |
$55.0 | 2023-02-09 | |
| Enamine | EN300-13769-0.25g |
2-(2-bromo-4,5-diethoxyphenyl)acetonitrile |
847744-26-7 | 95% | 0.25g |
$79.0 | 2023-02-09 | |
| Enamine | EN300-13769-0.5g |
2-(2-bromo-4,5-diethoxyphenyl)acetonitrile |
847744-26-7 | 95% | 0.5g |
$124.0 | 2023-02-09 | |
| Enamine | EN300-13769-1.0g |
2-(2-bromo-4,5-diethoxyphenyl)acetonitrile |
847744-26-7 | 95% | 1.0g |
$159.0 | 2023-02-09 | |
| Enamine | EN300-13769-2.5g |
2-(2-bromo-4,5-diethoxyphenyl)acetonitrile |
847744-26-7 | 95% | 2.5g |
$314.0 | 2023-02-09 | |
| Enamine | EN300-13769-5.0g |
2-(2-bromo-4,5-diethoxyphenyl)acetonitrile |
847744-26-7 | 95% | 5.0g |
$465.0 | 2023-02-09 |
2-(2-Bromo-4,5-diethoxyphenyl)acetonitrile Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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