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Cas Database |
| Name |
Bisphenol A bisallyl ether |
EINECS | 223-123-3 |
| CAS No. | 3739-67-1 | Density | 1.005 g/cm3 |
| PSA | 18.46000 | LogP | 5.14210 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C21H24O2 | Boiling Point | 430.5 °C at 760 mmHg |
| Molecular Weight | 308.42 | Flash Point | 155.3 °C |
| Transport Information | N/A | Appearance | off-yellow liquid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzene,1,1'-(1-methylethylidene)bis[4-(2-propenyloxy)- (9CI);Propane,2,2-bis[p-(allyloxy)phenyl]- (6CI,7CI,8CI);2,2-Bis(4-allyloxyphenyl)propane;4,4'-Isopropylidenediphenol diallylether;Dial 2; |
Article Data | 32 |
Bisphenol A bisallyl ether Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: BPA With potassium carbonate In acetone for 1h; Inert atmosphere; Reflux; Stage #2: allyl bromide In acetone Reflux; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| With potassium carbonate; sodium iodide In ethanol for 24h; Heating; | 98% |
| With sodium hydroxide; tetra(n-butyl)ammonium hydroxide at 40℃; for 6h; | 70% |
| With sodium hydroxide; calcium oxide In tert-butyl alcohol at 80℃; for 6h; Solvent; Reagent/catalyst; Temperature; | |
| Stage #1: BPA With sodium hydroxide In ethanol at 78℃; for 8h; Stage #2: 3-chloroprop-1-ene at 70℃; for 6h; |
| Conditions | Yield |
|---|---|
| With tris-(dibenzylideneacetone)dipalladium(0) In tetrahydrofuran at 25℃; for 24h; Condensation; | 98% |
| With potassium carbonate In neat (no solvent) at 85℃; for 4h; Catalytic behavior; | 98% |
| Conditions | Yield |
|---|---|
| With sodium hydroxide; palladium diacetate In water | 95.2% |
| Conditions | Yield |
|---|---|
| Stage #1: allyl alcohol With carbonic acid dimethyl ester; sodium methylate at 15.5 - 23℃; for 0.216667h; Inert atmosphere; Stage #2: BPA; 5%-palladium/activated carbon; triphenylphosphine at 22 - 78℃; for 9.68h; | 94.17% |
| With bis(η3-allyl-μ-chloropalladium(II)); silver trifluoromethanesulfonate; 6,6′-[(3,3′-di-tert-butyl-5,5′-dimethoxy-1,1′-biphenyl-2,2′-diyl)bis(oxy)]bis(di-benzo[d,f][1,3,2]dioxaphosphepin) In toluene at 40℃; for 38h; Inert atmosphere; Schlenk technique; Molecular sieve; Green chemistry; chemoselective reaction; | 77% |
| Conditions | Yield |
|---|---|
| With tetrabutylammomium bromide at 120℃; for 20h; Inert atmosphere; | 77% |
- 80-05-7
BPA
- 557-40-4
Allyl ether
A
- 109348-07-4
2-allyl-4-(2-(4-hydroxyphenyl)propane-2-yl)phenol
B
- 1745-89-7
2,2-bis(3-allyl-4-hydroxyphenyl)propane
C
- 105577-85-3
C21H24O2
D
- 59501-41-6
4-(2-(4-(allyloxy)phenyl)propane-2-yl)phenol
E
- 3739-67-1
bisphenol A diallyl ether
| Conditions | Yield |
|---|---|
| Stage #1: BPA With chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II); silver(I) 4-methylbenzenesulfonate; toluene-4-sulfonic acid In toluene for 0.0833333h; Inert atmosphere; Stage #2: Allyl ether In toluene at 60℃; for 3h; Inert atmosphere; | A n/a B n/a C n/a D n/a E 51% |
- 80-05-7
BPA
- 107-18-6
allyl alcohol
A
- 109348-07-4
2-allyl-4-(2-(4-hydroxyphenyl)propane-2-yl)phenol
B
- 1745-89-7
2,2-bis(3-allyl-4-hydroxyphenyl)propane
C
- 105577-85-3
C21H24O2
D
- 59501-41-6
4-(2-(4-(allyloxy)phenyl)propane-2-yl)phenol
E
- 3739-67-1
bisphenol A diallyl ether
| Conditions | Yield |
|---|---|
| Stage #1: BPA With silver(I) 4-methylbenzenesulfonate; toluene-4-sulfonic acid In toluene for 0.0833333h; Inert atmosphere; Stage #2: allyl alcohol In toluene at 80℃; for 3h; Inert atmosphere; | A n/a B n/a C n/a D n/a E 25% |
- 80-05-7
BPA
- 557-40-4
Allyl ether
A
- 59501-41-6
4-(2-(4-(allyloxy)phenyl)propane-2-yl)phenol
B
- 3739-67-1
bisphenol A diallyl ether
| Conditions | Yield |
|---|---|
| Stage #1: BPA With (2,2-dimethylpropane-1,3-diyl)bis(diphenylphosphane); palladium diacetate In toluene for 0.0833333h; Inert atmosphere; Stage #2: Allyl ether In toluene at 100℃; for 20h; Inert atmosphere; | A n/a B 24% |
- 80-05-7
BPA
- 591-87-7
Allyl acetate
A
- 109348-07-4
2-allyl-4-(2-(4-hydroxyphenyl)propane-2-yl)phenol
B
- 1745-89-7
2,2-bis(3-allyl-4-hydroxyphenyl)propane
C
- 105577-85-3
C21H24O2
D
- 59501-41-6
4-(2-(4-(allyloxy)phenyl)propane-2-yl)phenol
E
- 3739-67-1
bisphenol A diallyl ether
| Conditions | Yield |
|---|---|
| Stage #1: BPA With [RuCp(PPh3)2](OTs); silver(I) 4-methylbenzenesulfonate; toluene-4-sulfonic acid In toluene for 0.0833333h; Inert atmosphere; Stage #2: Allyl acetate In toluene at 60℃; for 3h; Inert atmosphere; | A n/a B n/a C n/a D n/a E 18% |
Bisphenol A bisallyl ether Specification
The Bisphenol A bisallyl ether with the cas number 3739-67-1, is also called 2,2-Bis(4-allyloxyphenyl)propane.The product can be supplied by the following suppliers: (1)Laizhou Laiyu Chemical Co., Ltd.; (2)Sichuan Huishuo Chemical Co., Ltd.; (3)Waterstone Technology, LLC.; (4)Aagile Labs Division of Tyger Scientific; (5)MOLEKULA Ltd.; (6)Nanjing Chemlin Chemical Co., Ltd..
The properties of the chemical are: (1)ACD/LogP: 6.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.35; (4)ACD/LogD (pH 7.4): 6.35; (5)ACD/BCF (pH 5.5): 39130.04; (6)ACD/BCF (pH 7.4): 39130.04; (7)ACD/KOC (pH 5.5): 67437.63; (8)ACD/KOC (pH 7.4): 67437.63; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 95.74 cm3; (15)Molar Volume: 306.9 cm3; (16)Polarizability: 37.95×10-24cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Enthalpy of Vaporization: 65.94 kJ/mol; (19)Vapour Pressure: 3.25×10-7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(cc1)C(c1ccc(OCC=C)cc1)(C)C)CC=C
(2)InChI: InChI=1/C21H24O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3
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