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| CAS No.: | 117344-32-8 |
|---|---|
| Name: | Bisphenoxyethanolfluorene |
| Molecular Structure: | |
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|
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| Formula: | C29H26O4 |
| Molecular Weight: | 438.523 |
| Synonyms: | 9,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene;BPEF;BPHE;2,2'-[9H-fluorene-9,9-diylbis(benzene-4,1-diyloxy)]diethanol;2,2'-[9H-Fluorene-9,9-diylbis(4,1-phenyleneoxy)]diethanol;ethanol, 2,2'-[9H-fluoren-9-ylidenebis(4,1-phenyleneoxy)]bis-;2-(4-{9-[4-(2-Hydroxy-ethoxy)-phenyl]-9H-fluoren-9-yl}-phenoxy)-ethanol;4,4'-(9-Fluorenylidene)bis(2-phenoxyethanol);4,4′-(9-Fluorenylidene)bis(2-phenoxyethanol);9,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene; |
| EINECS: | 672-704-1 |
| Density: | 1.248 g/cm3 |
| Melting Point: | 117-120 °C(lit.) |
| Boiling Point: | 610.7 °C at 760 mmHg |
| Flash Point: | 323.1 °C |
| Solubility: | Insoluble in water |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 37 |
| Safety: | 26-36 |
| PSA: | 58.92000 |
| LogP: | 4.79190 |
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| Conditions | Yield |
|---|---|
| With sulfuric acid; ethanethiol for 12h; Reagent/catalyst; Reflux; | 94.5% |
| With 3-mercaptopropionic acid In chlorobenzene at 115℃; for 2h; Solvent; Temperature; Reagent/catalyst; | 92.5% |
| tungstophosphoric acid In toluene at 130℃; under 15.0015 Torr; for 4h; Product distribution / selectivity; Inert atmosphere; | 90.2% |
- 75-21-8
oxirane
- 3236-71-3
9,9-bis(4-hydroxyphenyl)fluorene
- 117344-32-8
9,9-bis(4-(2-hydroxyethoxy)phenyl)fluorene
| Conditions | Yield |
|---|---|
| With potassium hydroxide In water; isopropyl alcohol at 30 - 65℃; for 6.83333h; Solvent; Temperature; Reagent/catalyst; | 91.5% |
- 96-49-1
[1,3]-dioxolan-2-one
- 3236-71-3
9,9-bis(4-hydroxyphenyl)fluorene
- 117344-32-8
9,9-bis(4-(2-hydroxyethoxy)phenyl)fluorene
| Conditions | Yield |
|---|---|
| With potassium fluoride In N,N-dimethyl-formamide for 4h; Inert atmosphere; Reflux; | 75% |
| With potassium fluoride In N,N-dimethyl-formamide for 4h; Inert atmosphere; Reflux; | 75% |
- 75-21-8
oxirane
- 3236-71-3
9,9-bis(4-hydroxyphenyl)fluorene
B
- 117344-32-8
9,9-bis(4-(2-hydroxyethoxy)phenyl)fluorene
| Conditions | Yield |
|---|---|
| anion exchange resin A (Cl-type) In 2-methoxy-ethanol at 100℃; for 12h; | A 2.0 %Chromat. B 98.0 %Chromat. |
- 56101-99-6
phenoxyethyl alcohol
- 486-25-9
9-fluorenone
- 108-95-2
phenol
- 117344-32-8
9,9-bis(4-(2-hydroxyethoxy)phenyl)fluorene
- 486-25-9
9-fluorenone
- 117344-32-8
9,9-bis(4-(2-hydroxyethoxy)phenyl)fluorene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 3-mercaptopropionic acid; methanesulfonic acid / toluene / 13 h / 40 °C / Inert atmosphere 2: potassium fluoride / N,N-dimethyl-formamide / 4 h / Inert atmosphere; Reflux View Scheme |
- 108-95-2
phenol
- 117344-32-8
9,9-bis(4-(2-hydroxyethoxy)phenyl)fluorene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 3-mercaptopropionic acid; methanesulfonic acid / toluene / 13 h / 40 °C / Inert atmosphere 2: potassium fluoride / N,N-dimethyl-formamide / 4 h / Inert atmosphere; Reflux View Scheme |
- 122-99-6
2-Phenoxyethanol
- 25023-01-2
9,9-dichloro-9H-fluorene
- 117344-32-8
9,9-bis(4-(2-hydroxyethoxy)phenyl)fluorene
| Conditions | Yield |
|---|---|
| Stage #1: 2-Phenoxyethanol; 9,9-dichloro-9H-fluorene at 70℃; for 3h; Inert atmosphere; Stage #2: With methanesulfonic acid at 110℃; for 9h; Inert atmosphere; | 13.5 g |
- 106-89-8
epichlorohydrin
- 117344-32-8
9,9-bis(4-(2-hydroxyethoxy)phenyl)fluorene
| Conditions | Yield |
|---|---|
| With calcium chloride; sodium hydroxide at 65℃; Green chemistry; | 98.8% |
| With N-benzyl-N,N,N-triethylammonium chloride at 60℃; for 1h; | |
| With N-benzyl-N,N,N-triethylammonium chloride at 60℃; for 1h; |
- 26473-49-4
3-mercaptobutyric acid
- 117344-32-8
9,9-bis(4-(2-hydroxyethoxy)phenyl)fluorene
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In toluene at 140℃; for 3h; | 97.1% |
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Specification
The Bisphenoxyethanolfluorene, with the CAS registry number 117344-32-8, has the systematic name of 2,2'-[9H-fluorene-9,9-diylbis(benzene-4,1-diyloxy)]diethanol. It belongs to the following product categories: Fluorenes; Fluorenes & Fluorenones; Fluorenes, etc. (reagent for high-performance polymer research); Functional Materials; Reagent for High-Performance Polymer Research; Fluorene series; Alcohols; C9 to C30; Oxygen Compounds. And the molecular formula of the chemical is C29H26O4.
The characteristics of Bisphenoxyethanolfluorene are as followings: (1)ACD/LogP: 4.14; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 36.92 Å2; (7)Index of Refraction: 1.651; (8)Molar Refractivity: 128.28 cm3; (9)Molar Volume: 351.1 cm3; (10)Polarizability: 50.85×10-24cm3; (11)Surface Tension: 56.8 dyne/cm; (12)Density: 1.248 g/cm3; (13)Flash Point: 323.1 °C; (14)Enthalpy of Vaporization: 95.35 kJ/mol; (15)Boiling Point: 610.7 °C at 760 mmHg; (16)Vapour Pressure: 9.06E-16 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to respiratory system. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCCOc1ccc(cc1)C4(c2ccccc2c3c4cccc3)c5ccc(OCCO)cc5
(2)InChI: InChI=1/C29H26O4/c30-17-19-32-23-13-9-21(10-14-23)29(22-11-15-24(16-12-22)33-20-18-31)27-7-3-1-5-25(27)26-6-2-4-8-28(26)29/h1-16,30-31H,17-20H2
(3)InChIKey: NQXNYVAALXGLQT-UHFFFAOYAJ