CAS No.28320-31-2,9H-Fluorene,2-bromo-9,9-dimethyl- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	28320-31-2
Name:	9H-Fluorene,2-bromo-9,9-dimethyl-
Article Data:	36
Cas Database

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
Transport Information:	N/A
PSA:	0.00000
LogP:	4.75540

Synthetic route

: 1133-80-8
2-bromo-9H-fluorene

: 74-88-4
methyl iodide

: 28320-31-2
2-bromo-9,9-dimethyl-9H-fluorene

Conditions

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

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

: C15H17Br

: 28320-31-2
2-bromo-9,9-dimethyl-9H-fluorene

Conditions

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

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 0 - 20℃; for 16h;	99.3%

: 28320-31-2
2-bromo-9,9-dimethyl-9H-fluorene

: 74-88-4
methyl iodide

: 69535-83-7
2,9,9-trimethyl-9H-fluorene

Conditions

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

: (2R*,3aR*,8bR*)-2-methyl-1,2,3,3a,4,8b-hexahydropenta[b]- indole

: (2R*,3aR*,8bR*)-2-methyl-4-(9,9-dimethyl-9H-fluorenene-2-yl)- 1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole

Conditions

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

: (1R*,3aR*,8bR*)-1-methyl-1,2,3,3a,4,8b-hexahydropenta[b]- indole

: (1R*,3aR*,8bR*)-1-methyl-4-(9,9-dimethyl-9H-fluorenene-2-yl)- 1,2,3,3a,4,8b-hexahydrocyclopenta[b]indole

Conditions

Conditions	Yield
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; sodium t-butanolate; tert-butyl XPhos In toluene Buchwald-Hartwig Coupling; Reflux; Inert atmosphere;	98%

: 854952-58-2
N-phenyl-9H-carbazol-3-boronic acid

: 28320-31-2
2-bromo-9,9-dimethyl-9H-fluorene

: C33H25N

Conditions

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

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

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%

Total:178 Page 1 of 5 1 2 3 4 5 Next>>

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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