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Cas Database |
| Name |
Boronic acid,B-(3-bromo-2-fluorophenyl)- |
EINECS | N/A |
| CAS No. | 352535-97-8 | Density | 1.75 g/cm3 |
| PSA | 40.46000 | LogP | 0.26800 |
| Solubility | N/A | Melting Point |
225-227 ºC |
| Formula | C6H5BBrFO2 | Boiling Point | 326.6 °C at 760 mmHg |
| Molecular Weight | 218.818 | Flash Point | 151.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Bromo-2-fluorophenylboronic acid;Boronicacid, (3-bromo-2-fluorophenyl)- (9CI); |
Article Data | 1 |
Boronic acid,B-(3-bromo-2-fluorophenyl)- Synthetic route
- 109-04-6
2-bromo-pyridine
- 352535-97-8
(3’-bromo-2-fluorophenyl)boronic acid
- 1402215-21-7
2-(3-bromo-2-fluoro-phenyl)-pyridine
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane at 100℃; for 1h; Suzuki Coupling; Inert atmosphere; | 94% |
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water for 12h; Inert atmosphere; Reflux; | 80% |
| Conditions | Yield |
|---|---|
| Stage #1: nitrobenzene With [2,2]bipyridinyl; [MoO2Cl2(dmf)2] In toluene for 0.0333333h; Stage #2: (3’-bromo-2-fluorophenyl)boronic acid With triphenylphosphine In toluene at 100℃; for 18h; | 78% |
- 352535-97-8
(3’-bromo-2-fluorophenyl)boronic acid
- 22536-66-9
2-chloro-4-pyrimidinecarboxamide
| Conditions | Yield |
|---|---|
| With bis-triphenylphosphine-palladium(II) chloride; cesium fluoride In ethanol; water at 100℃; Microwave irradiation; | 48% |
- 352535-97-8
(3’-bromo-2-fluorophenyl)boronic acid
| Conditions | Yield |
|---|---|
| With pyridine; copper(II) bis(trifluoromethanesulfonate) In dichloromethane at 25℃; for 12h; Molecular sieve; | 43% |
| Conditions | Yield |
|---|---|
| With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In 1,4-dioxane; water at 95℃; for 5h; Inert atmosphere; | 18.87% |
- 352535-97-8
(3’-bromo-2-fluorophenyl)boronic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium carbonate / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / 1,2-dimethoxyethane / 3 h / 85 °C 2: triethylamine / dimethyl sulfoxide / 18 h / 100 °C View Scheme |
- 352535-97-8
(3’-bromo-2-fluorophenyl)boronic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sodium carbonate / dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / 1,2-dimethoxyethane / 3 h / 85 °C 2: triethylamine / dimethyl sulfoxide / 18 h / 100 °C 3: potassium tert-butylate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl / palladium diacetate / 1,4-dioxane / 2 h / 105 °C View Scheme |
- 352535-97-8
(3’-bromo-2-fluorophenyl)boronic acid
- 659731-48-3
2-fluoro-4-iodo-5-chloropyridine
- 1377698-52-6
4-(3-bromo-2-fluorophenyl)-5-chloro-2-fluoropyridine
| Conditions | Yield |
|---|---|
| With sodium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In 1,2-dimethoxyethane at 85℃; for 3h; |
- 352535-97-8
(3’-bromo-2-fluorophenyl)boronic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium carbonate; tetrakis(triphenylphosphine) palladium(0) / tetrahydrofuran; water / 12 h / Inert atmosphere; Reflux 2: potassium carbonate / N,N-dimethyl-formamide / 2 h / Inert atmosphere; Reflux View Scheme |
Boronic acid,B-(3-bromo-2-fluorophenyl)- Specification
The CAS registry number of Boronic acid,B-(3-bromo-2-fluorophenyl)- is 352535-97-8. It belongs to the product categories of Blocks; Bromides; Aryl; Boronic Acids and Derivatives. This chemical's molecular formula is C6H5BBrFO2 and molecular weight is 218.8161. What's more, its systematic name is (3-Bromo-2-fluorophenyl)boronic acid.
Physical properties about Boronic acid,B-(3-bromo-2-fluorophenyl)- are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 34; (6)ACD/BCF (pH 7.4): 16.23; (7)ACD/KOC (pH 5.5): 432.59; (8)ACD/KOC (pH 7.4): 206.56; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 41.12 cm; (15)Molar Volume: 125 cm3; (16)Polarizability: 16.3×10-24 cm3; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.75 g/cm3; (19)Flash Point: 151.3 °C; (20)Enthalpy of Vaporization: 60.04 kJ/mol; (21)Boiling Point: 326.6 °C at 760 mmHg; (22)Vapour Pressure: 8.7E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(cccc1Br)B(O)O
(2) InChI: InChI=1S/C6H5BBrFO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H
(3) InChIKey: QCLOSORNRRMFIA-UHFFFAOYAR
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