Cas no 850033-39-5 (2-Methyl-4-trifluoromethoxyphenylboronic Acid)
2-Methyl-4-trifluoromethoxyphenylboronic Acid Chemical and Physical Properties
Names and Identifiers
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- 2-Methyl-4-(trifluoromethoxy)phenylboronic acid
- [2-methyl-4-(trifluoromethoxy)phenyl]boronic acid
- 2-Methyl-4-trifluoromethoxyphenylboronic acid
- Boronic acid,B-[2-methyl-4-(trifluoromethoxy)phenyl]-
- PC7578
- B-[2-Methyl-4-(trifluoromethoxy)phenyl]boronic acid (ACI)
- Boronic acid, [2-methyl-4-(trifluoromethoxy)phenyl]- (9CI)
- 2-Methyl-4-(trifluoromethoxy)phenylboronicacid
- EN300-316420
- 850033-39-5
- DTXSID30660292
- CS-0084324
- MFCD09475816
- PS-9738
- SCHEMBL769093
- Boronic acid, [2-methyl-4-(trifluoromethoxy)phenyl]-
- (2-methyl-4-(trifluoromethoxy)phenyl)boronic acid
- AKOS015842385
- 2-Methyl-4-(trifluoromethoxy)benzeneboronic acid
- Z1509619211
- DB-010473
- 2-Methyl-4-trifluoromethoxyphenylboronic Acid
-
- MDL： MFCD09475816
- Inchi： 1S/C8H8BF3O3/c1-5-4-6(15-8(10,11)12)2-3-7(5)9(13)14/h2-4,13-14H,1H3
- InChI Key： VZNGQLGNHIYWOD-UHFFFAOYSA-N
- SMILES： FC(OC1C=C(C)C(B(O)O)=CC=1)(F)F
Computed Properties
- Exact Mass: 220.05200
- Monoisotopic Mass: 220.052
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 210
- 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
- Topological Polar Surface Area: 49.7A^2
Experimental Properties
- Color/Form: NA
- Density: 1.36
- Boiling Point: 280.8°C at 760 mmHg
- Flash Point: 123.6°C
- Refractive Index: 1.464
- PSA: 49.69000
- LogP: 0.57340
2-Methyl-4-trifluoromethoxyphenylboronic Acid Security Information
- Signal Word：warning
- Hazard Statement： Irritant
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
-
Hazardous Material Identification：
- Storage Condition：Storage at -4 ℃ (6-12weeks), long storage period at -20 ℃ (1-2years), transport at 0 ℃
2-Methyl-4-trifluoromethoxyphenylboronic Acid Customs Data
- HS CODE：2931900090
- Customs Data：
China Customs Code:
2931900090Overview:
2931900090. Other organic-Inorganic compound. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:6.5%. general tariff:30.0%
Summary:
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%
2-Methyl-4-trifluoromethoxyphenylboronic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 219418-250mg |
2-Methyl-4-(trifluoromethoxy)phenylboronic acid |
850033-39-5 | 95% | 250mg |
￡138.00 | 2022-03-01 | |
| Fluorochem | 219418-1g |
2-Methyl-4-(trifluoromethoxy)phenylboronic acid |
850033-39-5 | 95% | 1g |
￡300.00 | 2022-03-01 | |
| TRC | M343205-50mg |
2-Methyl-4-trifluoromethoxyphenylboronic Acid |
850033-39-5 | 50mg |
$ 70.00 | 2022-06-03 | ||
| TRC | M343205-100mg |
2-Methyl-4-trifluoromethoxyphenylboronic Acid |
850033-39-5 | 100mg |
$ 95.00 | 2022-06-03 | ||
| TRC | M343205-500mg |
2-Methyl-4-trifluoromethoxyphenylboronic Acid |
850033-39-5 | 500mg |
$ 340.00 | 2022-06-03 | ||
| abcr | AB232196-250 mg |
2-Methyl-4-(trifluoromethoxy)benzeneboronic acid, 98%; . |
850033-39-5 | 98% | 250MG |
€215.80 | 2022-09-01 | |
| abcr | AB232196-1 g |
2-Methyl-4-(trifluoromethoxy)benzeneboronic acid, 98%; . |
850033-39-5 | 98% | 1g |
€421.20 | 2022-09-01 | |
| Apollo Scientific | PC7578-250mg |
2-Methyl-4-(trifluoromethoxy)benzeneboronic acid |
850033-39-5 | 98% | 250mg |
￡133.00 | 2023-09-02 | |
| Apollo Scientific | PC7578-1g |
2-Methyl-4-(trifluoromethoxy)benzeneboronic acid |
850033-39-5 | 98% | 1g |
￡362.00 | 2023-09-02 | |
| Chemenu | CM123954-1g |
(2-methyl-4-(trifluoromethoxy)phenyl)boronic acid |
850033-39-5 | 95%+ | 1g |
$*** | 2023-05-29 |
2-Methyl-4-trifluoromethoxyphenylboronic Acid Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
Additional information on 2-Methyl-4-trifluoromethoxyphenylboronic Acid
2-Methyl-4-trifluoromethoxyphenylboronic Acid: A Comprehensive Overview
The compound 2-Methyl-4-trifluoromethoxyphenylboronic Acid (CAS No. 850033-39-5) is a significant molecule in the field of organic chemistry, particularly in the synthesis of biologically active compounds and materials science. This compound is characterized by its unique structure, which includes a boronic acid group attached to a substituted aromatic ring. The presence of the trifluoromethoxy group at the 4-position and a methyl group at the 2-position introduces specific electronic and steric effects that make this compound highly versatile in various chemical reactions.
Boronic acids have gained considerable attention in recent years due to their role in cross-coupling reactions, such as the Suzuki-Miyaura coupling. These reactions are pivotal in the construction of complex molecular architectures, including pharmaceuticals, agrochemicals, and advanced materials. The trifluoromethoxy group is known for its strong electron-withdrawing properties, which can enhance the reactivity of the boronic acid moiety in such reactions. This makes 2-Methyl-4-trifluoromethoxyphenylboronic Acid an invaluable reagent in modern organic synthesis.
Recent studies have highlighted the importance of electron-deficient aromatic systems in medicinal chemistry. The trifluoromethoxy substitution on the aromatic ring not only stabilizes the conjugated system but also imparts unique pharmacokinetic properties to the compound. Researchers have explored its potential as an intermediate in the synthesis of anticancer agents, where the trifluoromethoxy group plays a critical role in modulating drug-target interactions.
In addition to its role in therapeutic development, 2-Methyl-4-trifluoromethoxyphenylboronic Acid has been utilized in the synthesis of advanced materials, such as organic light-emitting diodes (OLEDs). The electronic properties of this compound make it suitable for applications requiring precise control over charge transport and emission characteristics. Recent advancements in OLED technology have leveraged such compounds to achieve higher efficiency and stability in devices.
The synthesis of 2-Methyl-4-trifluoromethoxyphenylboronic Acid typically involves multi-step processes that combine traditional organic synthesis techniques with modern catalytic methods. One common approach involves the Friedel-Crafts alkylation or acylation followed by functionalization with a boronic acid group using palladium-catalyzed coupling reactions. The introduction of the trifluoromethoxy group often requires specialized reagents and conditions to ensure high yields and purity.
From an environmental standpoint, understanding the fate and behavior of 2-Methyl-4-trifluoromethoxyphenylboronic Acid is crucial for its safe handling and disposal. Recent studies have focused on its degradation pathways under various environmental conditions, particularly its interaction with soil microorganisms and aquatic systems. These studies aim to assess its potential impact on ecosystems and guide sustainable practices in chemical manufacturing.
In conclusion, 2-Methyl-4-trifluoromethoxyphenylboronic Acid (CAS No. 850033-39-5) stands as a testament to the ingenuity of modern organic chemistry. Its unique structure, versatile reactivity, and wide-ranging applications make it an essential compound for researchers across multiple disciplines. As advancements continue to unfold, this compound will undoubtedly play an even more prominent role in shaping future innovations in medicine, materials science, and beyond.
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