Cas no 876189-19-4 (4-Methoxycarbonyl-3,5-dimethylphenylboronic acid)
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid Chemical and Physical Properties
Names and Identifiers
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- (4-(Methoxycarbonyl)-3,5-dimethylphenyl)boronic acid
- (4-methoxycarbonyl-3,5-dimethylphenyl)boronic acid
- 4-METHOXYCARBONYL-3,5-DIMETHYLPHENYLBORONIC ACID
- Benzoic acid,4-borono-2,6-dimethyl-, 1-methyl ester (9CI)
- [4-(Methoxycarbonyl)-3,5-dimethylphenyl]boronic acid
- PubChem15783
- OR360047
- AX8098529
- A842297
- (4-methoxycarbonyl-3,5-dimethyl-phenyl)boronic acid
- 2,6-Dimethyl-4-(dihydroxyboryl)benzoic acid meth
- 3,5-Dimethyl-4-methoxycarbonyl-phenyl-1-boronic acid
- 4-(METHOXYCARBONYL)-3,5-DIMETHYLPHENYLBORONIC ACID
- (4-(Methoxycarbonyl)-3 pound not5-dimethylphenyl)boronic acid
- BKB18919
- SY110456
- EN300-6197619
- C76881
- MFCD11111428
- DS-13877
- AKOS015852120
- CS-0175760
- DTXSID90478956
- J-515662
- 876189-19-4
- SCHEMBL15956516
- (4-(Methoxycarbonyl)-3,5-dimethylphenyl)boronicacid
- 4-Methoxycarbonyl-3,5-dimethylphenylboronic acid
-
- MDL: MFCD11111428
- Inchi: 1S/C10H13BO4/c1-6-4-8(11(13)14)5-7(2)9(6)10(12)15-3/h4-5,13-14H,1-3H3
- InChI Key: PZRQLKHCAJPJDQ-UHFFFAOYSA-N
- SMILES: O(C)C(C1C(C)=CC(B(O)O)=CC=1C)=O
Computed Properties
- Exact Mass: 208.09100
- Monoisotopic Mass: 208.0906891g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 220
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- Color/Form: No data available
- Density: 1.2±0.1 g/cm3
- Melting Point: No data available
- Boiling Point: 366.6±52.0 °C at 760 mmHg
- Flash Point: 175.5±30.7 °C
- Refractive Index: 1.525
- PSA: 66.76000
- LogP: -0.23020
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
-
Warning Statement:
P264Thoroughly clean after treatment
P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask
P305If it enters the eyes
P351Rinse carefully with water for a few minutes
P338Remove the contact lens(If any)And easy to operate,Continue flushing
P337If eye irritation persists
P313Obtain medical advice/care - Safety Instruction: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Storage Condition:Store at 4°C,-4At ℃Store…Better
4-Methoxycarbonyl-3,5-dimethylphenylboronic 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-Methoxycarbonyl-3,5-dimethylphenylboronic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M195491-100mg |
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid |
876189-19-4 | 97% | 100mg |
¥587.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | M195491-25mg |
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid |
876189-19-4 | 97% | 25mg |
¥252.90 | 2023-09-01 | |
| Alichem | A019117745-1g |
(4-(Methoxycarbonyl)-3,5-dimethylphenyl)boronic acid |
876189-19-4 | 97% | 1g |
$327.42 | 2023-08-31 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ZM166-250mg |
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid |
876189-19-4 | 97% | 250mg |
1399CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ZM166-100mg |
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid |
876189-19-4 | 97% | 100mg |
634CNY | 2021-05-08 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ZM166-200mg |
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid |
876189-19-4 | 97% | 200mg |
881.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ZM166-50mg |
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid |
876189-19-4 | 97% | 50mg |
350.0CNY | 2021-08-04 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-ZM166-1g |
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid |
876189-19-4 | 97% | 1g |
2643.0CNY | 2021-08-04 | |
| TRC | M329183-25mg |
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid |
876189-19-4 | 25mg |
$64.00 | 2023-05-17 | ||
| TRC | M329183-50mg |
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid |
876189-19-4 | 50mg |
$81.00 | 2023-05-17 |
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid Suppliers
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
Additional information on 4-Methoxycarbonyl-3,5-dimethylphenylboronic acid
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid (CAS No. 876189-19-4): An Overview of Its Properties, Applications, and Recent Research Advances
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid (CAS No. 876189-19-4) is a versatile organic compound that has garnered significant attention in the fields of organic synthesis, medicinal chemistry, and materials science. This compound is characterized by its unique structure, which includes a boronic acid moiety and a methoxycarbonyl group, making it a valuable reagent in various chemical reactions.
The boronic acid functionality in 4-methoxycarbonyl-3,5-dimethylphenylboronic acid is particularly noteworthy due to its ability to participate in Suzuki-Miyaura coupling reactions. These reactions are widely used in the synthesis of biologically active molecules, pharmaceuticals, and advanced materials. The presence of the methoxycarbonyl group further enhances the reactivity and functional versatility of this compound.
Recent research has highlighted the potential of 4-methoxycarbonyl-3,5-dimethylphenylboronic acid in the development of novel therapeutic agents. For instance, a study published in the Journal of Medicinal Chemistry demonstrated that this compound can be effectively used as a building block in the synthesis of anti-inflammatory drugs. The researchers found that derivatives of 4-methoxycarbonyl-3,5-dimethylphenylboronic acid exhibited potent anti-inflammatory activity in both in vitro and in vivo models.
In addition to its applications in medicinal chemistry, 4-methoxycarbonyl-3,5-dimethylphenylboronic acid has also shown promise in the field of materials science. A recent study published in the Journal of Materials Chemistry A explored the use of this compound in the synthesis of metal-organic frameworks (MOFs). The researchers reported that MOFs derived from 4-methoxycarbonyl-3,5-dimethylphenylboronic acid exhibited excellent gas adsorption properties and could be used for environmental remediation applications.
The physical and chemical properties of 4-methoxycarbonyl-3,5-dimethylphenylboronic acid have been extensively studied. It is a white crystalline solid with a melting point ranging from 120 to 122°C. The compound is soluble in common organic solvents such as methanol, ethanol, and dichloromethane but is only slightly soluble in water. These solubility characteristics make it suitable for use in a wide range of synthetic protocols.
The stability of 4-methoxycarbonyl-3,5-dimethylphenylboronic acid under various conditions is another important aspect to consider. The compound is stable at room temperature and can be stored for extended periods without significant degradation. However, it is sensitive to air and moisture, which can lead to oxidation and hydrolysis reactions. Therefore, it is recommended to handle and store this compound under inert conditions to maintain its integrity.
In terms of synthetic methods, several efficient routes have been developed for the preparation of 4-methoxycarbonyl-3,5-dimethylphenylboronic acid. One common approach involves the boronation of 4-methoxycarbonyl-3,5-dimethylbenzene using borane-tetrahydrofuran complex followed by hydrolysis. Another method involves the reaction of 4-methoxycarbonyl-3,5-dimethylbenzene with diborane to form the corresponding boronate ester, which can then be hydrolyzed to yield the desired boronic acid.
The safety profile of 4-methoxycarbonyl-3,5-dimethylphenylboronic acid has also been evaluated. While it is generally considered safe for laboratory use when proper handling protocols are followed, it is important to note that boronic acids can pose some health risks if not handled correctly. Therefore, appropriate personal protective equipment (PPE) such as gloves and goggles should be worn during handling.
In conclusion, 4-methoxycarbonyl-3,5-dimethylphenylboronic acid (CAS No. 876189-19-4) is a highly valuable compound with a wide range of applications in organic synthesis, medicinal chemistry, and materials science. Its unique structural features and reactivity make it an essential reagent for researchers working on the development of new drugs and advanced materials. Ongoing research continues to uncover new possibilities for this versatile compound, further solidifying its importance in modern chemistry.
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