3-(4-Boronophenyl)propionic acid
Product Information
Molecular Formula
C9H11BO4
Molecular Weight
193.99
Description
The versatility of 3-(4-Boronophenyl)propionic acid lies in its ability to participate in the synthesis of boron-containing compounds that exhibit promising anticancer properties.
Synonyms
4-(2-CARBOXYETHYL)BENZENEBORONIC ACID; 4-(2-CARBOXYETHYL)PHENYLBORONIC ACID; 3-(4-BORONOPHENYL)PROPIONIC ACID; RARECHEM AH PB 0082; 3-(4-Boronophenyl)propionic acid~4-(2-Carboxyethyl)phenylboronic acid
IUPAC Name
3-(4-boronophenyl)propanoic acid
SMILES
B(C1=CC=C(C=C1)CCC(=O)O)(O)O
InChI
InChI=1S/C9H11BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5,13-14H,3,6H2,(H,11,12)
InChI Key
VPSARXNVXCRDIV-UHFFFAOYSA-N
Boiling Point
419.2°C at 760 mmHg
Melting Point
158-160°C
Flash Point
Not applicable
Purity
97%
Density
1.28g/cm3
Safety Information
Hazards
H302 - H319
Precautionary Statement
P301 + P312 + P330 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
194.0750390 g/mol
Monoisotopic Mass
194.0750390 g/mol
Topological Polar Surface Area
77.8Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
187
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 |
|---|---|---|
| CN-112920171-A | Cyanine compound containing tetrazine unit and preparation method and application thereof | 2021-01-29 |
| CN-111146496-A | Polymer electrolyte and lithium ion battery containing same | 2019-12-23 |
| CN-111146496-B | Polymer electrolyte and lithium ion battery containing same | 2019-12-23 |
| US-2021077385-A1 | Wet-packed soft hydrogel ocular inserts | 2019-09-18 |
| WO-2021053586-A1 | Wet-packed soft hydrogel ocular inserts | 2019-09-18 |
| KR-20210031629-A | Surface modified extracellular vesicles and a composition comprising the same | 2019-09-11 |
| WO-2021049920-A1 | Surface-modified extracellular vesicle and composition comprising same | 2019-09-11 |
| US-2020158913-A1 | Contact lens with phosphorylcholine-modified polyvinylalcohols therein | 2018-11-15 |
| WO-2020100090-A1 | Contact lens with phosphorylcholine-modified polyvinylalcohols therein | 2018-11-15 |
| US-11061169-B2 | Contact lens with phosphorylcholine-modified polyvinylalcohols therein | 2018-11-15 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 21543232 | 2011-12-01 | Biological evaluation of dopamine analogues containing phenylboronic acid group as new boron carriers | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine |
| 20710065 | 2010-08-11 | Phenylboronic-acid-based carbohydrate binders as antiviral therapeutics: monophenylboronic acids | Antiviral chemistry & chemotherapy |
