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| CAS No.: | 28320-31-2 |
|---|---|
| Name: | 2-Bromo-9,9-dimethylfluorene |
| Molecular Structure: | |
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| Formula: | C15H13Br |
| Molecular Weight: | 273.172 |
| Synonyms: | Fluorene,2-bromo-9,9-dimethyl- (8CI);2-Bromo-9,9-dimethyl-9H-fluorene;9,9-Dimethyl-2-bromofluorene; |
| EINECS: | 694-710-3 |
| Density: | 1.346 g/cm3 |
| Melting Point: | 68 °C |
| Boiling Point: | 352.9 °C at 760 mmHg |
| Flash Point: | 165.097 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | off kind of white crystallization |
| Hazard Symbols: | N |
| Risk Codes: | 51/53 |
| Safety: | 61 |
| PSA: | 0.00000 |
| LogP: | 4.75540 |
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| Conditions | Yield |
|---|---|
| Stage #1: 2-bromo-9H-fluorene With potassium tert-butylate In tetrahydrofuran at 0℃; for 0.166667h; Stage #2: methyl iodide In tetrahydrofuran at 0 - 20℃; | 99% |
| With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In dimethyl sulfoxide at 0℃; for 0.5h; | 99% |
| With potassium hydroxide; potassium iodide In dimethyl sulfoxide at 20℃; for 48h; | 97% |
- 4569-45-3
9,9-dimethyl-9H-fluorene
- 28320-31-2
2-bromo-9,9-dimethyl-9H-fluorene
| Conditions | Yield |
|---|---|
| With sodium bromate; hydrogen bromide; trimethylbenzylammonium bromide In dichloromethane; water at 10 - 20℃; under 760.051 Torr; for 1.5h; | 90% |
| With N-Bromosuccinimide In dichloromethane at 20℃; for 24h; | 78% |
| With bromine; iron(III) chloride In water at 20℃; for 13h; Heating / reflux; | 20% |
| With bromine |
- 28320-31-2
2-bromo-9,9-dimethyl-9H-fluorene
| Conditions | Yield |
|---|---|
| With 2,3-dicyano-5,6-dichloro-p-benzoquinone In benzene | 67% |
- 28320-31-2
2-bromo-9,9-dimethyl-9H-fluorene
- 75-36-5
acetyl chloride
- 899444-03-2
1-(7-bromo-9,9-dimethyl-9H-fluoren-2-yl)ethanone
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride In dichloromethane at 0 - 20℃; for 16h; | 99.3% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-bromo-9,9-dimethyl-9H-fluorene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Stage #2: methyl iodide In tetrahydrofuran; hexane at -78 - 20℃; for 2h; | 99% |
- 28320-31-2
2-bromo-9,9-dimethyl-9H-fluorene
| Conditions | Yield |
|---|---|
| With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; sodium t-butanolate; tert-butyl XPhos In toluene Buchwald-Hartwig Coupling; Reflux; Inert atmosphere; | 98% |
- 28320-31-2
2-bromo-9,9-dimethyl-9H-fluorene
| Conditions | Yield |
|---|---|
| With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; sodium t-butanolate; tert-butyl XPhos In toluene Buchwald-Hartwig Coupling; Reflux; Inert atmosphere; | 98% |
| Conditions | Yield |
|---|---|
| With potassium phosphate tribasic trihydrate; C44H43B10Br2P; palladium diacetate In ethanol; toluene at 120℃; for 36h; Kinetics; Reagent/catalyst; Suzuki-Miyaura Coupling; Schlenk technique; Inert atmosphere; | 98% |
- 28320-31-2
2-bromo-9,9-dimethyl-9H-fluorene
- 319906-45-1
2-bromo-7-iodo-9,9-dimethyl-9H-fluorene
| Conditions | Yield |
|---|---|
| With potassium iodate; sulfuric acid; iodine; acetic acid In water at 80℃; for 2.5h; | 96% |
| With sulfuric acid; iodine; acetic acid; periodic acid In water at 50℃; for 5h; | 85% |
| With periodic acid dihydrate; sulfuric acid; iodine; acetic acid at 65 - 90℃; for 6.5h; Inert atmosphere; | 76% |
- 28320-31-2
2-bromo-9,9-dimethyl-9H-fluorene
- 62-53-3
aniline
- 355832-04-1
N-phenyl-(9,9-dimethyl-9H-fluoren-2-yl)amine
| Conditions | Yield |
|---|---|
| With 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; sodium t-butanolate In toluene for 20h; Buchwald-Hartwig Coupling; Reflux; Inert atmosphere; | 95% |
| With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene at 110℃; for 3.58333h; Inert atmosphere; | 93% |
| With sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine In toluene at 90℃; for 3h; | 92% |
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Specification
The 2-Bromo-9,9-dimethylfluorene is an organic compound with the formula C15H13Br. The IUPAC name of this chemical is 2-bromo-9,9-dimethyl-9H-fluorene. With the CAS registry number 28320-31-2, it is also named as 9H-fluorene, 2-bromo-9,9-dimethyl-. The product's categories are Fluorene Derivatives; Electronic Chemicals.
Physical properties about 2-Bromo-9,9-dimethylfluorene are: (1)ACD/LogP: 6.65; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 20223; (6)ACD/BCF (pH 7.4): 20223; (7)ACD/KOC (pH 5.5): 42045; (8)ACD/KOC (pH 7.4): 42045; (9)Index of Refraction: 1.615; (10)Molar Refractivity: 70.807 cm3; (11)Molar Volume: 202.932 cm3; (12)Polarizability: 28.07×10-24cm3; (13)Surface Tension: 43.218 dyne/cm; (14)Density: 1.346 g/cm3; (15)Flash Point: 165.097 °C; (16)Enthalpy of Vaporization: 57.42 kJ/mol; (17)Boiling Point: 352.925 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc3c1ccccc1C(C)(C)c3c2
(2)InChI: InChI=1/C15H13Br/c1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h3-9H,1-2H3
(3)InChIKey: MBHPOBSZPYEADG-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C15H13Br/c1-15(2)13-6-4-3-5-11(13)12-8-7-10(16)9-14(12)15/h3-9H,1-2H3
(5)Std. InChIKey: MBHPOBSZPYEADG-UHFFFAOYSA-N