Cas no 850568-79-5 (5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate)
5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate Chemical and Physical Properties
Names and Identifiers
-
- tert-Butyl (1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)carbamate
- 6-(Boc-Amino)-1-Hydroxy-2,1-Benzoxaborolane
- 5-(Boc-amino)-2-(hydroxymethyl)benzeneboronic acid hemiester
- 5-Amino-2-(hydroxymethyl)benzeneboronic acid
- 5-Boc-amino-2-hydroxymethylphenylboronic acid, dehydrate
- tert-butyl N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)carbamate
- 6-Amino-1-hydroxy-2,1-benzoxaborolane,N-BOC protected
- OR5544
- tert-butyl 1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-ylcarbamate
- EN300-7377414
- PD194969
- tert-butyl N-(1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate
- AKOS015893471
- BS-24288
- 6-(Boc-amino)-1-hydroxy-3H-2,1-benzoxaborole
- 850568-79-5
- DB-016101
- AB26476
- DTXSID00657331
- 5-Amino-2-(hydroxymethyl)benzeneboronic acid, dehydrate, N-BOC protected
- tert-Butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate
- MFCD06659853
- AKOS022184026
- CS-0100857
- 5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate
-
- MDL: MFCD06659853
- Inchi: 1S/C12H16BNO4/c1-12(2,3)18-11(15)14-9-5-4-8-7-17-13(16)10(8)6-9/h4-6,16H,7H2,1-3H3,(H,14,15)
- InChI Key: PHTYIDJNPFQYPQ-UHFFFAOYSA-N
- SMILES: O(C(NC1C=CC2COB(C=2C=1)O)=O)C(C)(C)C
Computed Properties
- Exact Mass: 249.11700
- Monoisotopic Mass: 249.117
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 318
- 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: 67.8A^2
Experimental Properties
- Density: 1.2
- Melting Point: 134-138
- Refractive Index: 1.54
- PSA: 67.79000
- LogP: 1.32430
5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate Security Information
- Hazard Statement: Irritant
-
Hazardous Material Identification:
5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate 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%
5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019094186-5g |
tert-Butyl (1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)carbamate |
850568-79-5 | 98% | 5g |
$674.10 | 2023-08-31 | |
| TRC | B603440-25mg |
5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate |
850568-79-5 | 25mg |
$ 64.00 | 2023-04-18 | ||
| TRC | B603440-50mg |
5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate |
850568-79-5 | 50mg |
$ 75.00 | 2023-04-18 | ||
| TRC | B603440-100mg |
5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate |
850568-79-5 | 100mg |
$ 115.00 | 2023-04-18 | ||
| TRC | B603440-250mg |
5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate |
850568-79-5 | 250mg |
$ 196.00 | 2023-04-18 | ||
| Apollo Scientific | OR5544-250mg |
5-Amino-2-(hydroxymethyl)benzeneboronic acid, dehydrate, N-BOC protected |
850568-79-5 | 98% | 250mg |
£135.00 | 2024-05-25 | |
| Apollo Scientific | OR5544-1g |
5-Amino-2-(hydroxymethyl)benzeneboronic acid, dehydrate, N-BOC protected |
850568-79-5 | 98% | 1g |
£297.00 | 2024-05-25 | |
| abcr | AB246507-250 mg |
5-Amino-2-(hydroxymethyl)benzeneboronic acid, dehydrate, N-BOC protected; 98% |
850568-79-5 | 250mg |
€212.00 | 2023-06-22 | ||
| abcr | AB246507-1 g |
5-Amino-2-(hydroxymethyl)benzeneboronic acid, dehydrate, N-BOC protected; 98% |
850568-79-5 | 1g |
€417.70 | 2023-06-22 | ||
| abcr | AB246507-250mg |
5-Amino-2-(hydroxymethyl)benzeneboronic acid, dehydrate, N-BOC protected, 98%; . |
850568-79-5 | 98% | 250mg |
€212.00 | 2025-04-16 |
5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
Additional information on 5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate
5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate (CAS No. 850568-79-5): An Overview
5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate (CAS No. 850568-79-5) is a versatile and important compound in the field of organic synthesis and medicinal chemistry. This compound, also known as Boc-NH-(3-B(OH)2-C6H3CH(OH)CH3), is a boronic acid derivative that has gained significant attention due to its unique chemical properties and potential applications in various research areas.
The Boc (tert-butyloxycarbonyl) protecting group in 5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate plays a crucial role in its stability and reactivity. The Boc group effectively protects the amino functionality, allowing for selective reactions at other functional groups. This makes the compound highly valuable in the synthesis of complex organic molecules and pharmaceutical intermediates.
The hydroxymethyl group in the compound provides additional reactivity and functionalization opportunities. The presence of this group allows for the formation of various derivatives through reactions such as etherification, esterification, and oxidation. These derivatives can be used in the development of new drugs, catalysts, and materials with tailored properties.
The boronic acid moiety in 5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate is particularly noteworthy. Boronic acids are known for their ability to form stable complexes with various functional groups, making them useful in Suzuki-Miyaura coupling reactions. These reactions are widely used in the synthesis of biologically active compounds, including pharmaceuticals and agrochemicals. The boronic acid functionality also enables the compound to participate in metal-catalyzed cross-coupling reactions, further expanding its synthetic utility.
In recent years, there has been increasing interest in the use of boronic acid derivatives like 5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate in medicinal chemistry. Research has shown that these compounds can serve as potent inhibitors of various enzymes and receptors, making them potential leads for drug discovery. For example, studies have demonstrated that boronic acid derivatives can inhibit proteases, kinases, and other enzymes involved in disease pathways.
A notable application of 5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate is in the development of prodrugs. Prodrugs are inactive precursors that are converted into active drugs within the body through metabolic processes. The Boc protecting group can be designed to be cleaved under specific biological conditions, releasing the active drug moiety. This approach can improve the pharmacokinetic properties of drugs, such as their solubility, stability, and bioavailability.
The dehydrated form of 5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate is particularly useful for storage and handling purposes. The removal of water molecules reduces the risk of hydrolysis and other degradation processes, ensuring that the compound remains stable over extended periods. This makes it an ideal choice for long-term storage and transportation.
In addition to its synthetic applications, 5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate has been explored for its potential use in materials science. Boronic acids have been used to create self-healing materials and stimuli-responsive systems due to their ability to form reversible covalent bonds. These materials have applications in areas such as coatings, adhesives, and biomedical devices.
The safety profile of 5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate is an important consideration for its use in various applications. While it is generally considered safe when handled properly, appropriate precautions should be taken to avoid exposure to skin and eyes, as well as inhalation of dust or vapor. It is recommended to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat when working with this compound.
In conclusion, 5-Boc-amino-2-hydroxymethylphenylboronic Acid Dehydrate (CAS No. 850568-79-5) is a multifunctional compound with a wide range of applications in organic synthesis, medicinal chemistry, and materials science. Its unique chemical properties make it a valuable tool for researchers and chemists working on the development of new drugs, catalysts, and advanced materials. As research continues to advance, it is likely that new applications for this compound will be discovered, further expanding its utility and importance in the scientific community.
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