Cas no 850568-61-5 (4-Chloro-2-ethoxycarbonylphenylboronic acid)
4-Chloro-2-ethoxycarbonylphenylboronic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Chloro-2-ethoxycarbonylphenylboronic acid
- (4-Chloro-2-Ethoxycarbonyl)Benzeneboronic Acid
- 4-Chloro-2-(ethoxycarbonyl)benzeneboronic acid
- (4-chloro-2-ethoxycarbonylphenyl)boronic acid
- Benzoic acid,2-borono-5-chloro-, 1-ethyl ester (9CI)
- OR5531
- [4-chloro-2-(ethoxycarbonyl)phenyl]boronic acid
- 4-chloro-2-(ethoxycarbonyl)phenylboronic acid
- XKWOKFJBESYBKP-UHFFFAOYSA-N
- VB10466
- AB26403
- AX8006571
- B
- ETHYL 2-BORONO-5-CHLOROBENZOATE
- AKOS BRN-0725
- 4-CHLORO-2-ETHOXYCARBOXYPHENYLBORONIC ACID
- 4-Chloro-2-(ethoxycarbonyl)benzeneboronic acid 95%
- 4-Chloro-2-(ethoxycarbonyl)benzeneboronicacid95%
- carboxyoxy-(4-chloro-2-ethoxyphenyl)borinic acid
- 4-Chloro-2-ethoxycarbonylphenylboronicacid
- SCHEMBL473980
- D93221
- 850568-61-5
- AS-55275
- (4-Chloro-2-(ethoxycarbonyl)phenyl)boronic acid
- MFCD06659823
- XH0407
- AKOS004113769
- DTXSID00629634
- CS-0149616
-
- MDL： MFCD06659823
- Inchi： 1S/C9H10BClO4/c1-2-15-9(12)7-5-6(11)3-4-8(7)10(13)14/h3-5,13-14H,2H2,1H3
- InChI Key： XKWOKFJBESYBKP-UHFFFAOYSA-N
- SMILES： C1(C=C(Cl)C=CC=1B(O)O)C(OCC)=O
Computed Properties
- Exact Mass: 228.03600
- Monoisotopic Mass: 228.0360667g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 224
- 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: 66.8
Experimental Properties
- Color/Form: Not available
- Density: 1.3±0.1 g/cm3
- Melting Point: 138-143°C
- Boiling Point: 397.8±52.0 °C at 760 mmHg
- Flash Point: 194.4±30.7 °C
- PSA: 66.76000
- LogP: 0.19650
- Vapor Pressure: 0.0±1.0 mmHg at 25°C
- pka: 8.04±0.53(Predicted)
4-Chloro-2-ethoxycarbonylphenylboronic acid Security Information
- Signal Word：Warning
- Hazard Statement： H315; H319; H335
- Warning Statement： P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Safety Instruction： H303+H313+H333
-
Hazardous Material Identification：
- Storage Condition：Store at room temperature
4-Chloro-2-ethoxycarbonylphenylboronic 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%
4-Chloro-2-ethoxycarbonylphenylboronic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019113315-5g |
4-Chloro-2-ethoxycarbonylphenylboronic acid |
850568-61-5 | 97% | 5g |
$644.38 | 2023-08-31 | |
| TRC | C370873-100mg |
4-Chloro-2-ethoxycarbonylphenylboronic acid |
850568-61-5 | 100mg |
$ 110.00 | 2023-04-18 | ||
| TRC | C370873-250mg |
4-Chloro-2-ethoxycarbonylphenylboronic acid |
850568-61-5 | 250mg |
$ 219.00 | 2023-04-18 | ||
| TRC | C370873-500mg |
4-Chloro-2-ethoxycarbonylphenylboronic acid |
850568-61-5 | 500mg |
$ 333.00 | 2023-04-18 | ||
| TRC | C370873-1g |
4-Chloro-2-ethoxycarbonylphenylboronic acid |
850568-61-5 | 1g |
$ 390.00 | 2022-04-01 | ||
| Matrix Scientific | 093094-250mg |
4-Chloro-2-ethoxycarbonylphenylboronic acid, 95+% |
850568-61-5 | 95+% | 250mg |
$243.00 | 2023-09-10 | |
| Matrix Scientific | 093094-1g |
4-Chloro-2-ethoxycarbonylphenylboronic acid, 95+% |
850568-61-5 | 95+% | 1g |
$538.00 | 2023-09-10 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | C906889-5g |
[4-Chloro-2-(ethoxycarbonyl)phenyl]boronic acid |
850568-61-5 | 95% | 5g |
5,742.00 | 2021-05-17 | |
| Fluorochem | 219477-1g |
4-Chloro-2-ethoxycarbonylphenylboronic acid |
850568-61-5 | 95% | 1g |
￡210.00 | 2022-02-28 | |
| Fluorochem | 219477-5g |
4-Chloro-2-ethoxycarbonylphenylboronic acid |
850568-61-5 | 95% | 5g |
￡840.00 | 2022-02-28 |
4-Chloro-2-ethoxycarbonylphenylboronic acid Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
Additional information on 4-Chloro-2-ethoxycarbonylphenylboronic acid
4-Chloro-2-Ethoxycarbonylphenylboronic Acid (CAS No. 850568-61-5)
4-Chloro-2-Ethoxycarbonylphenylboronic Acid, also known by its CAS registry number 850568-61-5, is a versatile organoboron compound with significant applications in organic synthesis and materials science. This compound has garnered attention in recent years due to its unique chemical properties and its role in various cutting-edge research areas, including drug discovery, polymer chemistry, and electronic materials.
The molecular structure of 4-Chloro-2-Ethoxycarbonylphenylboronic Acid consists of a phenyl ring substituted with a chloro group at the para position and an ethoxycarbonyl group at the ortho position, with a boronic acid functional group attached to the phenyl ring. This arrangement imparts the compound with both electron-withdrawing and electron-donating groups, making it highly reactive in various coupling reactions.
One of the most notable applications of this compound is in the field of cross-coupling reactions, particularly the Suzuki coupling. Recent studies have demonstrated its efficiency in forming biaryl structures under mild conditions, which are critical for the synthesis of complex molecules in pharmaceuticals and agrochemicals. The presence of the boronic acid group allows for selective bonding with aryl halides, enabling the construction of diverse aromatic systems.
In addition to its role in organic synthesis, 4-Chloro-2-Ethoxycarbonylphenylboronic Acid has been explored for its potential in polymer chemistry. Researchers have utilized this compound as a building block for synthesizing novel polymeric materials with tailored electronic properties. For instance, it has been employed in the development of conductive polymers for use in flexible electronics and energy storage devices.
The latest advancements in green chemistry have also highlighted the importance of sustainable synthesis methods for this compound. Scientists have developed eco-friendly protocols that minimize waste and reduce the use of hazardous reagents. These methods often involve catalytic systems that enhance reaction efficiency while maintaining high yields.
Furthermore, 4-Chloro-2-Ethoxycarbonylphenylboronic Acid has shown promise in medicinal chemistry as a precursor for bioactive compounds. Its ability to participate in various transformations makes it a valuable intermediate in drug discovery programs targeting diseases such as cancer and neurodegenerative disorders.
In conclusion, 4-Chloro-2-Ethoxycarbonylphenylboronic Acid (CAS No. 850568-61-5) stands out as a multifaceted compound with wide-ranging applications across multiple disciplines. Its unique chemical properties, combined with recent advancements in synthetic methodologies and application areas, underscore its importance as a key player in modern chemical research.
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