Cas no 175137-59-4 ((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile)
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile
- (4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile
- 1H-Pyrazole-1-acetonitrile,4-bromo-3,5-dimethyl-
- 2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetonitrile
- (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile(SALTDATA: FREE)
- 2-(4-bromo-3,5-dimethylpyrazolyl)ethanenitrile
- AC1MCTA7
- Maybridge1_004597
- SBB022512
- SureCN1855809
- Albb-004624
- AKOS B022136
- BUTTPARK 85\04-01
- ART-CHEM-BB B022136
- 4-BROMO-1-CYANOMETHYL-3,5-DIMETHYLPYRAZOLE
- D75126
- CS-0091402
- FT-0608591
- SR-01000638896-1
- EN300-229898
- LS-01722
- MFCD00084904
- DTXSID30380928
- AKOS000311107
- 175137-59-4
- (4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL CYANIDE
- HMS554I21
- CCG-49445
- 1H-Pyrazole-1-acetonitrile, 4-bromo-3,5-dimethyl-
- SCHEMBL1855809
- STK312601
- DB-099844
- (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile
-
- MDL: MFCD00084904
- Inchi: 1S/C7H8BrN3/c1-5-7(8)6(2)11(10-5)4-3-9/h4H2,1-2H3
- InChI Key: QQTALTIGHKIMSM-UHFFFAOYSA-N
- SMILES: BrC1C(C)=NN(CC#N)C=1C
Computed Properties
- Exact Mass: 212.99000
- Monoisotopic Mass: 212.99016g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 185
- 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: 1.6
- Topological Polar Surface Area: 41.6?2
Experimental Properties
- Density: 1.53
- Boiling Point: 313.4°Cat760mmHg
- Flash Point: 143.4°C
- Refractive Index: 1.608
- PSA: 41.61000
- LogP: 1.78598
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile Customs Data
- HS CODE:2933199090
- Customs Data:
China Customs Code:
2933199090Overview:
2933199090. Other structurally non fused pyrazole ring 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A049005497-5g |
2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile |
175137-59-4 | 95% | 5g |
$828.12 | 2022-04-02 | |
| TRC | B614935-50mg |
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile |
175137-59-4 | 50mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B614935-100mg |
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile |
175137-59-4 | 100mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B614935-500mg |
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile |
175137-59-4 | 500mg |
$ 115.00 | 2022-06-07 | ||
| Chemenu | CM115512-1g |
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile |
175137-59-4 | 95+% | 1g |
$98 | 2021-08-06 | |
| Chemenu | CM115512-5g |
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile |
175137-59-4 | 95+% | 5g |
$271 | 2021-08-06 | |
| Apollo Scientific | OR25082-250mg |
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile |
175137-59-4 | 250mg |
£70.00 | 2025-02-19 | ||
| Ambeed | A320396-5g |
2-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile |
175137-59-4 | 95+% | 5g |
$179.0 | 2024-04-22 | |
| Chemenu | CM115512-5g |
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile |
175137-59-4 | 95%+ | 5g |
$*** | 2023-03-30 | |
| eNovation Chemicals LLC | Y1238239-1g |
1H-Pyrazole-1-acetonitrile, 4-bromo-3,5-dimethyl- |
175137-59-4 | 95% | 1g |
$125 | 2024-06-07 |
(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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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
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
Additional information on (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile
Research Brief on (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile (CAS: 175137-59-4): Recent Advances and Applications
The compound (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile (CAS: 175137-59-4) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its versatile applications in medicinal chemistry and drug discovery. This research brief aims to synthesize the latest findings related to this compound, highlighting its synthesis, biological activities, and potential therapeutic applications.
Recent studies have demonstrated that (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile serves as a key intermediate in the synthesis of heterocyclic compounds, which are pivotal in the development of novel pharmaceuticals. Its structural features, including the bromo and cyano functional groups, make it a valuable building block for the construction of biologically active molecules. Researchers have successfully utilized this compound in the synthesis of pyrazole derivatives, which exhibit a wide range of pharmacological properties, including anti-inflammatory, antimicrobial, and anticancer activities.
One of the most notable advancements in the application of (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile is its role in the development of kinase inhibitors. Kinases are critical targets in the treatment of various cancers and inflammatory diseases. Recent publications have highlighted the use of this compound in the design and synthesis of small-molecule inhibitors that selectively target specific kinase pathways, offering promising therapeutic potential. For instance, a 2023 study published in the Journal of Medicinal Chemistry reported the successful incorporation of this compound into a novel inhibitor series with potent activity against a range of cancer cell lines.
In addition to its applications in drug discovery, (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile has also been explored in agrochemical research. Its derivatives have shown efficacy as fungicides and herbicides, contributing to the development of new crop protection agents. The compound's ability to act as a versatile synthon in organic synthesis further underscores its importance in both pharmaceutical and agricultural chemistry.
Despite these promising developments, challenges remain in optimizing the synthetic routes and scalability of (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile. Recent efforts have focused on improving yield and purity through innovative catalytic methods and green chemistry approaches. For example, a 2024 study in Organic Process Research & Development demonstrated a more efficient and environmentally friendly synthesis of this compound using microwave-assisted techniques, reducing reaction times and waste generation.
In conclusion, (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile (CAS: 175137-59-4) continues to be a compound of significant interest in chemical biology and pharmaceutical research. Its diverse applications, from drug discovery to agrochemical development, highlight its versatility and potential. Future research should focus on further elucidating its mechanistic roles and expanding its utility in the design of novel therapeutic agents. The ongoing advancements in synthetic methodologies and biological evaluations promise to unlock new opportunities for this compound in the years to come.
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