Cas no 195062-61-4 (4-Chlorophenylboronic acid, pinacol ester)
4-Chlorophenylboronic acid, pinacol ester Chemical and Physical Properties
Names and Identifiers
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- 2-(4-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- 4-Chlorobenzeneboronic acid pinacol ester
- 1,3,2-Dioxaborolane,2-(4-chlorophenyl)-4,4,5,5-tetramethyl-
- 4-Chlorophenylboronic acid pinacol ester
- C12H16BClO2
- 2-(4-chlorophenyl)-4,4,5,5-tetramethyl[1,2,3]dioxaborolane
- 2-(4-chlorophenyl)-4,4,5,5-tetrametyl[1,3,2]dioxaborolane
- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)chlorobenzene
- 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolyl)chlorobenzene
- BM129
- p-chlorophenylboronic acid pinacol ester
- 1-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene
- Pinacol (4-chlorophenyl)boronate
- 4-CHLOROPHENYLBORONIC ACID, PINACOL ESTER
- 4-Chlorobenzeneboronic acid, pinacol ester
- 4-Chlorophenylboronic acid pinacol ester 97%
- 1,3,2-DIOXABOROLANE, 2-(4-CHLOROPHENYL)-4,4,5,5-TETRAMETHYL-
- 4-CHLOROPHENYLBORONIC ACID,PINACOL ESTER
- NYARTXMDWRAVIX-UHFFFAOYSA-N
- 1,3,2-Dioxaborolane,2-(4-chlorophenyl)-4,4,5,5-tetr
- 4-Chlorophenylboronic acid, pinacol ester
-
- MDL： MFCD05663875
- Inchi： 1S/C12H16BClO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,1-4H3
- InChI Key： NYARTXMDWRAVIX-UHFFFAOYSA-N
- SMILES： ClC1C=CC(B2OC(C)(C)C(C)(C)O2)=CC=1
Computed Properties
- Exact Mass: 238.09300
- Monoisotopic Mass: 238.093188
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 244
- 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: 18.5
- Molecular Weight: 238.52
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- Color/Form: Not determined
- Density: 1.103
- Melting Point: 50-55?°C (lit.)
- Boiling Point: 308.678℃/760mmHg
- Flash Point: Degrees Fahrenheit:>230°F
Degrees Celsius:>110°C - Refractive Index: 1.506
- PSA: 18.46000
- LogP: 2.63920
- Solubility: Not determined
4-Chlorophenylboronic acid, pinacol ester Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H302-H413
- Warning Statement： P264; P270; P273; P301+P312; P330; P501
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 22
- Safety Instruction： S36
-
Hazardous Material Identification：
- Safety Term：S36
- Storage Condition：2-8°C
- Risk Phrases：R22
4-Chlorophenylboronic acid, pinacol ester Customs Data
- HS CODE：2934999090
- Customs Data：
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic 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
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
4-Chlorophenylboronic acid, pinacol ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019111319-25g |
2-(4-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
195062-61-4 | 95% | 25g |
$162.75 | 2023-09-02 | |
| Alichem | A019111319-100g |
2-(4-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
195062-61-4 | 95% | 100g |
$459.55 | 2023-09-02 | |
| TRC | C427998-100mg |
4-Chlorophenylboronic acid, pinacol ester |
195062-61-4 | 100mg |
$64.00 | 2023-05-18 | ||
| TRC | C427998-250mg |
4-Chlorophenylboronic acid, pinacol ester |
195062-61-4 | 250mg |
$75.00 | 2023-05-18 | ||
| TRC | C427998-500mg |
4-Chlorophenylboronic acid, pinacol ester |
195062-61-4 | 500mg |
$87.00 | 2023-05-18 | ||
| TRC | C427998-1g |
4-Chlorophenylboronic acid, pinacol ester |
195062-61-4 | 1g |
$ 80.00 | 2022-06-06 | ||
| Fluorochem | 219129-1g |
2-(4-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
195062-61-4 | 95% | 1g |
￡10.00 | 2022-03-01 | |
| Fluorochem | 219129-5g |
2-(4-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
195062-61-4 | 95% | 5g |
￡19.00 | 2022-03-01 | |
| Fluorochem | 219129-10g |
2-(4-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
195062-61-4 | 95% | 10g |
￡36.00 | 2022-03-01 | |
| Fluorochem | 219129-25g |
2-(4-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
195062-61-4 | 95% | 25g |
￡80.00 | 2022-03-01 |
4-Chlorophenylboronic acid, pinacol ester Related Literature
-
Jun Lee,Jihyun Yu,Seung Hwan Son,Jinyuk Heo,Taelim Kim,Ji-Young An,Kyung-Soo Inn,Nam-Jung Kim Org. Biomol. Chem. 2016 14 777
-
Te-Hsuan Chen,Daggula Mallikarjuna Reddy,Chin-Fa Lee RSC Adv. 2017 7 30214
Additional information on 4-Chlorophenylboronic acid, pinacol ester
4-Chlorophenylboronic Acid, Pinacol Ester: A Comprehensive Overview
4-Chlorophenylboronic acid, pinacol ester (CAS No. 195062-61-4) is a versatile and highly functional compound that has garnered significant attention in the fields of organic synthesis, materials science, and drug discovery. This compound is a derivative of 4-chlorophenylboronic acid, which serves as a key building block in various chemical reactions, particularly in the context of cross-coupling reactions. The pinacol ester form enhances its stability and reactivity, making it an invaluable tool for researchers and industry professionals alike.
The molecular structure of 4-chlorophenylboronic acid, pinacol ester consists of a phenyl ring substituted with a chlorine atom at the para position, attached to a boronic acid group that is further esterified with pinacol. This structure endows the compound with unique electronic and steric properties, enabling it to participate in a wide range of chemical transformations. Recent studies have highlighted its role in the synthesis of complex organic molecules, particularly in the construction of biologically active compounds and advanced materials.
One of the most notable applications of 4-chlorophenylboronic acid, pinacol ester is in the Suzuki-Miyaura coupling reaction, a palladium-catalyzed cross-coupling process that has revolutionized modern organic synthesis. In this reaction, the boronic acid group acts as a nucleophile, facilitating the formation of carbon-carbon bonds with aryl halides or other suitable partners. The use of pinacol as an esterifying agent enhances the stability of the boronic acid group during storage and handling, ensuring optimal reactivity during reactions.
Recent advancements in catalytic systems have further expanded the utility of 4-chlorophenylboronic acid, pinacol ester. For instance, researchers have explored its application in asymmetric catalysis, where it serves as a chiral auxiliary to induce enantioselectivity in complex molecule syntheses. Additionally, its compatibility with various solvents and reaction conditions has made it a preferred choice for large-scale industrial processes.
The synthesis of 4-chlorophenylboronic acid, pinacol ester typically involves multi-step procedures that emphasize precision and control over reaction conditions. A common approach involves the hydroboration of aryl chlorides followed by oxidation to yield the corresponding boronic acid. Subsequent esterification with pinacol ensures the formation of the desired product. Recent studies have focused on optimizing these steps to improve yield and reduce environmental impact, aligning with global trends toward sustainable chemistry practices.
In terms of applications beyond cross-coupling reactions, 4-chlorophenylboronic acid, pinacol ester has been employed in the synthesis of functional polymers and advanced materials. Its ability to undergo polymerization under specific conditions has led to its use in creating materials with tailored electronic and mechanical properties. Furthermore, its role in medicinal chemistry cannot be overstated; it serves as an intermediate in the synthesis of numerous drug candidates targeting various therapeutic areas.
Recent research has also explored the potential of 4-chlorophenylboronic acid, pinacol ester in bioconjugation chemistry. By leveraging its reactivity, scientists have developed novel methods for attaching organic molecules to biomolecules such as proteins and nucleic acids. This opens up new avenues for drug delivery systems and diagnostic tools.
In conclusion, 4-chlorophenylboronic acid, pinacol ester (CAS No. 195062-61-4) stands as a testament to the ingenuity and progress in modern organic chemistry. Its unique properties, coupled with advancements in synthetic methodologies and catalytic systems, continue to drive innovation across diverse scientific disciplines. As research into this compound evolves, it is poised to play an even more significant role in shaping the future of chemical synthesis and materials science.
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