Cas no 850568-53-5 (3-(E-2-Cyanovinyl)phenylboronic acid)
3-(E-2-Cyanovinyl)phenylboronic acid Chemical and Physical Properties
Names and Identifiers
-
- (E)-(3-(2-Cyanovinyl)phenyl)boronic acid
- 3-(3-Boronophenyl)Acrylonitrile
- 3-(E-2-Cyanovinyl)phenylboronic acid
- Boronic acid,B-[3-[(1E)-2-cyanoethenyl]phenyl]-
- 3-BORONOACRYLONITRILE
- DTXSID801250585
- 3-(E)-2-CYANOVINYLBENZENEBORONIC ACID
- (E)-(3-(2-Cyanovinyl)phenyl)boronicacid
- 3-(E-2-Cyanovinyl)phenylboronic acid (contains varying amounts of Anhydride)
- AKOS006346235
- SCHEMBL2555208
- BDBM50266941
- G78703
- {3-[(1E)-2-cyanoeth-1-en-1-yl]phenyl}boronic acid
- 850568-53-5
- CHEMBL4105287
- BS-24293
- B-[3-[(1E)-2-Cyanoethenyl]phenyl]boronic acid
- (E)-3-(2-cyanovinyl)phenylboronic acid
- MFCD04973741
- [3-[(E)-2-cyanoethenyl]phenyl]boronic acid
- CS-0174241
-
- MDL： MFCD04973741
- Inchi： 1S/C9H8BNO2/c11-6-2-4-8-3-1-5-9(7-8)10(12)13/h1-5,7,12-13H/b4-2+
- InChI Key： YDSLGHLJEJPWNC-DUXPYHPUSA-N
- SMILES： OB(C1=CC=CC(/C=C/C#N)=C1)O
Computed Properties
- Exact Mass: 173.06500
- Monoisotopic Mass: 173.0648087g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 64.2?2
Experimental Properties
- Density: 1.2
- Melting Point: 216-320
- Boiling Point: 423.4°C at 760 mmHg
- Flash Point: 209.9°C
- Refractive Index: 1.57
- PSA: 64.25000
- LogP: -0.09682
3-(E-2-Cyanovinyl)phenylboronic acid Security Information
- Hazard Statement： Keep Cold/Irritant
-
Hazardous Material Identification：
- Storage Condition：Keep cold
3-(E-2-Cyanovinyl)phenylboronic 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%
3-(E-2-Cyanovinyl)phenylboronic acid Pricemore >>
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|---|---|---|---|---|---|---|---|---|
| Alichem | A019118054-5g |
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850568-53-5 | 95% | 5g |
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| TRC | C991680-250mg |
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$155.00 | 2023-05-18 | ||
| TRC | C991680-500mg |
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| TRC | C991680-1g |
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| Fluorochem | 216149-1g |
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| Fluorochem | 216149-5g |
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| abcr | AB243670-1 g |
3-(E)-2-Cyanovinylbenzeneboronic acid, 95%; . |
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| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1244911-250mg |
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￥483.00 | 2024-07-28 |
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3-(E-2-Cyanovinyl)phenylboronic acid Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
Additional information on 3-(E-2-Cyanovinyl)phenylboronic acid
3-(E-2-Cyanovinyl)phenylboronic Acid (CAS No. 850568-53-5): A Versatile Building Block in Modern Organic Synthesis
In the realm of organic chemistry, 3-(E-2-Cyanovinyl)phenylboronic acid (CAS No. 850568-53-5) has emerged as a pivotal compound for researchers and industrial applications alike. This boronic acid derivative, characterized by its cyanovinyl and phenylboronic acid functional groups, is widely utilized in cross-coupling reactions, particularly the Suzuki-Miyaura reaction, which is a cornerstone in the synthesis of complex organic molecules. Its unique structure enables the formation of carbon-carbon bonds with high efficiency, making it indispensable in pharmaceutical development, materials science, and agrochemical research.
The growing interest in boronic acid derivatives like 3-(E-2-Cyanovinyl)phenylboronic acid stems from their compatibility with green chemistry principles. As sustainability becomes a focal point in chemical synthesis, researchers are increasingly drawn to compounds that minimize waste and reduce reliance on hazardous reagents. This compound’s ability to participate in aqueous-phase reactions and its stability under mild conditions align perfectly with these goals, addressing contemporary concerns about environmentally friendly synthesis.
Another hot topic in the scientific community is the application of 3-(E-2-Cyanovinyl)phenylboronic acid in the development of bioactive molecules. Its incorporation into drug candidates has shown promise in targeting diseases such as cancer and neurodegenerative disorders. For instance, the cyanovinyl moiety can enhance binding affinity to biological targets, while the boronic acid group facilitates prodrug strategies, a trending area in medicinal chemistry. This dual functionality makes it a sought-after reagent in drug discovery pipelines.
From a materials science perspective, 3-(E-2-Cyanovinyl)phenylboronic acid is instrumental in designing organic electronic materials. Its conjugated system, enabled by the E-2-cyanovinyl group, contributes to charge transport properties, making it valuable for organic light-emitting diodes (OLEDs) and photovoltaic devices. As the demand for flexible electronics and renewable energy solutions surges, this compound’s role in advancing these technologies cannot be overstated.
In summary, 3-(E-2-Cyanovinyl)phenylboronic acid (CAS No. 850568-53-5) is a multifaceted tool in modern chemistry, bridging gaps between sustainable synthesis, pharmaceutical innovation, and cutting-edge materials. Its adaptability and relevance to current scientific challenges ensure its continued prominence in research and industrial applications.
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