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| CAS No.: | 3278-82-8 |
|---|---|
| Name: | 1,5-Dibromoanthracene |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C14H8Br2 |
| Molecular Weight: | 336.026 |
| Synonyms: | 1,5-DIBROMOANTHRACENE |
| Density: | 1.768 g/cm3 |
| Melting Point: | 209 °C |
| Boiling Point: | 438.755 °C at 760 mmHg |
| Flash Point: | 256.192 °C |
| PSA: | 0.00000 |
| LogP: | 5.51800 |
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| Conditions | Yield |
|---|---|
| Stage #1: 1,5-dibromo-9,10-anthraquinone With sodium tetrahydroborate In isopropyl alcohol at 0 - 20℃; for 3.5h; Stage #2: With acetic acid; tin(ll) chloride for 2h; Reflux; | 71% |
| With hydrogen bromide; hypophosphorous acid; acetic acid at 120℃; for 96h; | 46% |
| Stage #1: 1,5-dibromo-9,10-anthraquinone With sodium tetrahydroborate; isopropyl alcohol at 20℃; for 4h; Cooling with ice; Stage #2: With acetic acid; tin(ll) chloride for 4h; Reflux; | 23% |
- 41063-80-3, 41063-81-4
1,5-Dibrom-9,10-dihydro-anthracen-9,10-diol
- 3278-82-8
1,5-dibromoanthraquinone
| Conditions | Yield |
|---|---|
| With hypophosphorous acid; potassium iodide | |
| With acetic acid; tin(ll) chloride for 2h; Reflux; | 10 g |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: KBr, CuCl2, 85 percent H3PO4 / nitrobenzene / 40 h / 195 - 205 °C 2: 1) NaBH4, 2) KI, NaH2PO2 / 2) MeOH View Scheme | |
| Multi-step reaction with 2 steps 1: KBr, CuCl2, 85 percent H3PO4 / nitrobenzene / 92 h / 195 - 205 °C 2: 1) NaBH4, 2) KI, NaH2PO2 / 2) MeOH View Scheme | |
| Multi-step reaction with 3 steps 1: KBr, CuCl2 2: KBH4 3: KI, H3PO2 View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: tert.-butylnitrite; copper(ll) bromide / acetonitrile / 2.5 h / 65 °C 2: sodium tetrahydroborate / isopropyl alcohol / 3.5 h / 0 - 20 °C 3: acetic acid; tin(ll) chloride / 2 h / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1: copper(ll) bromide; tert.-butylnitrite / acetonitrile / 2.5 h / 65 °C 2: hypophosphorous acid; acetic acid; hydrogen bromide / 96 h / 120 °C View Scheme | |
| Multi-step reaction with 2 steps 1.1: copper(ll) bromide; tert.-butylnitrite / acetonitrile / 2.5 h / 20 - 65 °C 2.1: sodium tetrahydroborate; isopropyl alcohol / 4 h / 20 °C / Cooling with ice 2.2: 4 h / Reflux View Scheme | |
| Multi-step reaction with 2 steps 1.1: copper(I) bromide; tert.-butylnitrite / acetonitrile / 2 h / 65 °C 2.1: sodium tetrahydroborate / isopropyl alcohol / 3.5 h / 0 - 20 °C 2.2: 2 h / Reflux View Scheme |
| Conditions | Yield |
|---|---|
| With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In tetrahydrofuran; toluene for 8h; Inert atmosphere; Reflux; | 94% |
| Conditions | Yield |
|---|---|
| With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(II) dichloride; sodium t-butanolate In 1,4-dioxane at 100℃; for 24h; Inert atmosphere; | 91% |
- 3278-82-8
1,5-dibromoanthraquinone
- 73183-34-3
bis(pinacol)diborane
| Conditions | Yield |
|---|---|
| With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In dimethyl sulfoxide at 80℃; for 16h; Miyaura Borylation Reaction; Schlenk technique; Inert atmosphere; | 89% |
| Conditions | Yield |
|---|---|
| With copper(l) iodide; bis(tri-t-butylphosphine)palladium(0); diisopropylamine In toluene at 20℃; Sonogashira Cross-Coupling; Schlenk technique; Inert atmosphere; | 87% |
- 419536-33-7
4-(carbazol-9-yl)phenylboronic acid
- 3278-82-8
1,5-dibromoanthraquinone
| Conditions | Yield |
|---|---|
| With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 90℃; for 14h; Inert atmosphere; | 86% |
| With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 90℃; for 14h; Inert atmosphere; | 1.8 g |
| Conditions | Yield |
|---|---|
| With copper(l) iodide; triethylamine; triphenylphosphine; palladium diacetate In toluene at 90℃; for 4h; Substitution; | 83% |
- Total:25 Page 1 of 1 1
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Specification
The 1,5-Dibromoanthracene, with the CAS registry number 3278-82-8, is also known as Anthracene, 1,5-dibromo-. It belongs to the product category of Anthracenes. This chemical's molecular formula is C14H8Br2 and molecular weight is 336.02. What's more, its IUPAC name is the same with its product name. It should be kept in a ventilated and dry place.
Physical properties about 1,5-Dibromoanthracene are: (1)ACD/LogP: 6.223; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.22; (4)ACD/LogD (pH 7.4): 6.22; (5)ACD/BCF (pH 5.5): 31590.99; (6)ACD/BCF (pH 7.4): 31590.99; (7)ACD/KOC (pH 5.5): 57859.08; (8)ACD/KOC (pH 7.4): 57859.08; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.749; (14)Molar Refractivity: 77.318 cm3; (15)Molar Volume: 190.035 cm3; (16)Polarizability: 30.651×10-24cm3; (17)Surface Tension: 54.329 dyne/cm; (18)Density: 1.768 g/cm3; (19)Flash Point: 256.192 °C; (20)Enthalpy of Vaporization: 66.877 kJ/mol; (21)Boiling Point: 438.755 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2cc3c(cccc3Br)cc2c(c1)Br
(2) InChI: InChI=1S/C14H8Br2/c15-13-5-1-3-9-7-12-10(8-11(9)13)4-2-6-14(12)16/h1-8H
(3) InChIKey: DIMYVOCPPKNNPF-UHFFFAOYSA-N