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| CAS No.: | 53914-95-7 |
|---|---|
| Name: | BIS(1,4-PHENYLENE)-34-CROWN 10-ETHER |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C28H40O10 |
| Molecular Weight: | 536.62 |
| Synonyms: | BIS(1,4-PHENYLENE)-34-CROWN 10-ETHER |
| Density: | 1.068g/cm3 |
| Melting Point: | 69.0 ~73.0 °C |
| Boiling Point: | 689.9°C at 760 mmHg |
| Flash Point: | 267.2°C |
| PSA: | 92.30000 |
| LogP: | 3.89320 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
- 37860-51-8
tetraethylene glycol di(p-toluenesulfonate)
- 14556-10-6
1,11-bis<4-hydroxyphenoxy>-3,6,9-trioxaundecane
- 53914-95-7
bis(p-phenylene)[34]crown-10
| Conditions | Yield |
|---|---|
| With sodium hydride In tetrahydrofuran for 120h; Heating; | 25% |
| With tetra-(n-butyl)ammonium iodide; caesium carbonate; cesium 4-methylbenzenesulfonate 1.) DMF, 80 deg C, 1.5 h, 2.) DMF, 100 deg C, 4 d; Yield given. Multistep reaction; |
- 134881-77-9
1,4-bis[2-(2-(2-(2-toluene-p-sulfonylethoxy)ethoxy)ethoxy)ethoxy]benzene
- 123-31-9
hydroquinone
- 53914-95-7
bis(p-phenylene)[34]crown-10
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetone for 48h; Heating; | 25% |
| With caesium carbonate for 72h; Cyclization; Heating; | 15% |
- 31255-26-2
1-bromo-2-{2-[2-(2-bromoethoxy)ethoxy]-ethoxy}ethane
- 14556-10-6
1,11-bis<4-hydroxyphenoxy>-3,6,9-trioxaundecane
A
- 53914-95-7
bis(p-phenylene)[34]crown-10
B
- 134940-41-3
1,4,7,10,13,18,21,24,27,30,35,38,41,44,47,52,55,58,61,64-icosaoxa<13,13,13,13>tetraparacyclophane
| Conditions | Yield |
|---|---|
| With caesium carbonate In N,N-dimethyl-formamide at 80℃; for 48h; | A 18% B 0.23% |
- 37860-51-8
tetraethylene glycol di(p-toluenesulfonate)
- 123-31-9
hydroquinone
- 53914-95-7
bis(p-phenylene)[34]crown-10
| Conditions | Yield |
|---|---|
| Stage #1: hydroquinone With sodium hydroxide In water; butan-1-ol for 0.5h; Reflux; Inert atmosphere; Stage #2: tetraethylene glycol di(p-toluenesulfonate) With caesium carbonate In 1,4-dioxane; butan-1-ol for 20h; Reflux; | 12.8% |
| With sodium hydroxide In isopropyl alcohol for 24h; Heating; | 150 mg |
- 37860-51-8
tetraethylene glycol di(p-toluenesulfonate)
- 113816-32-3
1,11-bis<4-(benzyloxy)phenoxy>-3,6,9-trioxaundecane
- 53914-95-7
bis(p-phenylene)[34]crown-10
| Conditions | Yield |
|---|---|
| With palladium on activated charcoal; hydrogen; sodium hydride 1.) MeOH, Et2O, 2.) Me2NCHO, 70 deg C, 24 h; Yield given. Multistep reaction; |
- 135974-61-7
1,4-bis[2-(2-hydroxyethoxy)ethoxy]benzene bis(4-methylbenzenesulfonate)
- 35648-87-4
1,4-bis[2-(2-hydroxyethoxy)ethoxy]benzene
- 53914-95-7
bis(p-phenylene)[34]crown-10
| Conditions | Yield |
|---|---|
| With sodium hydride 1.) THF, 1 h, 2.) THF, reflux 4 d; Yield given. Multistep reaction; |
| Conditions | Yield |
|---|---|
| In dimethylsulfoxide-d6 at 100℃; Rate constant; |
- 113816-15-2
C28H40O10*C12H14N2(2+)*2F6P(1-)
A
- 53914-95-7
bis(p-phenylene)[34]crown-10
B
- 67994-95-0
N,N'-dimethyl-4,4'-bipyridinium dihexafluorophosphate
| Conditions | Yield |
|---|---|
| In acetone at 25℃; Equilibrium constant; slipping-off; |
A
- 53914-95-7
bis(p-phenylene)[34]crown-10
| Conditions | Yield |
|---|---|
| In [D3]acetonitrile at 50℃; Activation energy; slipping-off; |
- 37860-51-8
tetraethylene glycol di(p-toluenesulfonate)
- 53914-95-7
bis(p-phenylene)[34]crown-10
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 80 percent / K2CO3 / acetone / 48 h / Heating 2: 25 percent / K2CO3 / acetone / 48 h / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: 68 percent / NaH / dimethylformamide / 24 h / 80 °C 2: 1.) H2, Pd/C, 2.) NaH / 1.) MeOH, Et2O, 2.) Me2NCHO, 70 deg C, 24 h View Scheme | |
| Multi-step reaction with 3 steps 1: 1.) NaH / 1.) DMF, 15 min, 2.) DMF, 80 deg C, 24 h 2: 99 percent / H2 / 10percent Pd/C / methanol; CHCl3 3: 25 percent / NaH / tetrahydrofuran / 120 h / Heating View Scheme |
- Total:17 Page 1 of 1 1
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Specification
The Bis(1,4-phenylene)-34-crown 10-Ether, with the CAS registry number 53914-95-7.It belongs to the product Organic matters.This chemical's molecular formula is C28H40O10 and molecular weight is 536.61. What's more,Its systematic name is 2,5,8,11,14,19,22,25,28,31-Decaoxatricyclo[30.2.2.215,18]octatriaconta-1(34),15,17,32,35,37-hexaene.
Physical properties about Bis(1,4-phenylene)-34-crown 10-Ether are: (1)ACD/LogP: 1.581; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 1.58; (4)ACD/LogD (pH 7.4): 1.58; (5)ACD/BCF (pH 5.5): 9.37; (6)ACD/BCF (pH 7.4): 9.37; (7)ACD/KOC (pH 5.5): 172.64; (8)ACD/KOC (pH 7.4): 172.64; (9)#H bond acceptors: 10; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.466; (13)Molar Refractivity: 139.024 cm3; (14)Molar Volume: 502.22 cm3; (15)Surface Tension: 36.3860015869141 dyne/cm; (16)Density: 1.068 g/cm3; (17)Flash Point: 267.249 °C; (18)Enthalpy of Vaporization: 97.489 kJ/mol; (19)Boiling Point: 689.93 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:O1c3ccc(OCCOCCOCCOCCOc2ccc(OCCOCCOCCOCC1)cc2)cc3;
(2)Std. InChI:InChI=1S/C28H40O10/c1-2-26-4-3-25(1)35-21-17-31-13-9-29-11-15-33-19-23-37-27-5-7-28(8-6-27)38-24-20-34-16-12-30-10-14-32-18-22-36-26/h1-8H,9-24H2;
(3)Std. InChIKey:REKDBTBSNFSNGP-UHFFFAOYSA-N;