2-BROMO-1,3,2-BENZODIOXABOROLE
Product Information
Molecular Formula
C6H4BBrO2
Molecular Weight
198.81
Description
2-BROMO-1,3,2-BENZODIOXABOROLE is a vital compound heavily employed in the biomedicine industry. It plays a significant role in the development of novel drugs targeting various diseases such as cancer, diabetes, and infectious diseases. This versatile compound exhibits exceptional pharmacological properties, making it an essential tool in drug discovery and biomedical research.
Synonyms
B-BROMOCATECHOLBORANE; 2-BROMO-1,3,2-BENZODIOXABOROLE; beta-Bromocatecholborane; 2-bromo-1,3,2-benzodioxaborale; 1,3,2-Benzodioxaborole, 2-bromo-
IUPAC Name
2-bromo-1,3,2-benzodioxaborole
SMILES
B1(OC2=CC=CC=C2O1)Br
InChI
InChI=1S/C6H4BBrO2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChI Key
SAILTPCYIYNOEL-UHFFFAOYSA-N
Boiling Point
76 °C/9 mmHg (lit.)
Melting Point
51-53 °C (lit.)
Flash Point
107.6 °F - closed cup
Purity
>95.0%(T)
Storage
2-8°C
Safety Information
Hazards
H228 - H314
Precautionary Statement
P210 - P280 - P305 + P351 + P338 - P310
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
197.94877 g/mol
Monoisotopic Mass
197.94877 g/mol
Topological Polar Surface Area
18.5Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
119
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| TW-201946915-A | Method and intermediate for preparing therapeutic compound | 2018-02-16 |
| US-10696657-B2 | Methods and intermediates for preparing therapeutic compounds | 2018-02-16 |
| US-2019300505-A1 | Methods and intermediates for preparing therapeutic compounds | 2018-02-16 |
| WO-2019161280-A1 | Methods and intermediates for preparing a therapeutic compound useful in the treatment of retroviridae viral infection | 2018-02-16 |
| AU-2019222559-A1 | Methods and intermediates for preparing a therapeutic compound useful in the treatment of retroviridae viral infection | 2018-02-16 |
| CA-3090280-A1 | Methods and intermediates for preparing therapeutic compounds useful in the treatment of retroviridae viral infection | 2018-02-16 |
| EP-3752496-A1 | Methods and intermediates for preparing a therapeutic compound useful in the treatment of retroviridae viral infection | 2018-02-16 |
| KR-20200120941-A | Methods and intermediates for making therapeutic compounds useful for the treatment of retroviridae viral infections | 2018-02-16 |
| US-2020369647-A1 | Methods and intermediates for preparing therapeutic compounds | 2018-02-16 |
| JP-2021513983-A | Methods and Intermediates for Preparing Therapeutic Compounds Useful in the Treatment of Retroviridae Virus Infections | 2018-02-16 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 12633077 | 2003-03-20 | Synthesis of 2'-C-beta-fluoromethyluridine | Organic letters |
| 9853654 | 1998-11-01 | Phenytoin-induced dermatomyositis: case report and literature review | Journal of child neurology |
