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CAS No.: | 6053-02-7 |
---|---|
Name: | 3,4-dihydroxystyrene |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C8H8O2 |
Molecular Weight: | 136.15 |
Synonyms: | Pyrocatechol,4-vinyl- (7CI,8CI);3,4-Dihydroxystyrene;3,4-Styrenediol;4-Vinylcatechol;4-Vinylpyrocatechol;Vinylcatechol; |
Density: | 1.213 g/cm3 |
Melting Point: | 50-53 °C |
Boiling Point: | 275.5 °C at 760 mmHg |
Flash Point: | 136.5 °C |
PSA: | 40.46000 |
LogP: | 1.74080 |
Conditions | Yield |
---|---|
With cucumber juice at 30 - 35℃; for 24h; Inert atmosphere; Green chemistry; | 98% |
With Cocos nucifera juice at 20℃; for 48h; Inert atmosphere; | 93% |
With aluminum oxide; 1,8-diazabicyclo[5.4.0]undec-7-ene; hydroquinone In methanol for 0.25h; microwave irradiation; | 35% |
Conditions | Yield |
---|---|
With 10H-phenothiazine; diethylamine In N,N-dimethyl-formamide at 60℃; for 6h; | 91.3% |
With pyridine; acetic acid at 130℃; for 0.133333h; microwave irradiation; | 55% |
With piperidine; ethanol | |
With piperidine In ethanol for 8h; Heating; |
Conditions | Yield |
---|---|
With 10H-phenothiazine; diisopropylamine In N,N-dimethyl-formamide; toluene at 70℃; for 15h; | 89.3% |
methyl-triphenylphosphonium iodide
3,4-dihydroxybenzaldehyde
3,4-dihydroxystyrene
Conditions | Yield |
---|---|
Stage #1: methyl-triphenylphosphonium iodide With potassium tert-butylate In tetrahydrofuran for 1h; Inert atmosphere; Stage #2: 3,4-dihydroxybenzaldehyde In tetrahydrofuran at 25℃; for 24h; Wittig reaction; Inert atmosphere; | 59.9% |
With potassium tert-butylate In tetrahydrofuran Wittig Olefination; | |
With potassium tert-butylate In tetrahydrofuran Wittig Olefination; |
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene; copper dichloride at 240℃; for 0.5h; | 10% |
Stage #1: caffeic acid In N,N-dimethyl-formamide at 80℃; for 18h; Stage #2: With 10H-phenothiazine In N,N-dimethyl-formamide at 60℃; Temperature; |
5-vinyl-benzo[1,3]dioxol-2-one
3,4-dihydroxystyrene
Conditions | Yield |
---|---|
With pyridine |
5-vinyl-benzo[1,3]dioxol-2-one
3,4-dihydroxystyrene
caffeic acid
A
3,4-Dihydroxybenzoic acid
B
aesculetin
C
3,4-dihydroxystyrene
D
cis-caffeic acid
Conditions | Yield |
---|---|
In water for 3.26667h; pH=6.5; Kinetics; Mechanism; pH-value; UV-irradiation; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: morpholine / N,N-dimethyl-formamide / 0.33 h / 18 - 25 °C 1.2: 22 h / 70 °C 2.1: N,N-dimethyl-formamide / 18 h / 80 °C 2.2: 60 °C View Scheme | |
Multi-step reaction with 2 steps 1: pyridine; glycine / 2 h / 80 °C / 760.05 Torr 2: triethylamine / 8 h / 140 °C View Scheme |
Methyltriphenylphosphonium bromide
3,4-dihydroxybenzaldehyde
3,4-dihydroxystyrene
Conditions | Yield |
---|---|
Wittig Olefination; |
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The 1,2-Benzenediol,4-ethenyl- is an organic compound with the formula C8H8O2. The IUPAC name of this chemical is 4-ethenylbenzene-1,2-diol. With the CAS registry number 6053-02-7, it is also named as 4-Vinylbenzene-1,2-diol.
Physical properties about 1,2-Benzenediol,4-ethenyl- are: (1)ACD/LogP: 1.71; (2)ACD/LogD (pH 5.5): 1.71; (3)ACD/LogD (pH 7.4): 1.71; (4)ACD/BCF (pH 5.5): 11.77; (5)ACD/BCF (pH 7.4): 11.65; (6)ACD/KOC (pH 5.5): 203.21; (7)ACD/KOC (pH 7.4): 201.29; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 18.46 Å2; (12)Index of Refraction: 1.65; (13)Molar Refractivity: 40.94 cm3; (14)Molar Volume: 112.2 cm3; (15)Polarizability: 16.22×10-24cm3; (16)Surface Tension: 52.5 dyne/cm; (17)Density: 1.213 g/cm3; (18)Flash Point: 136.5 °C; (19)Enthalpy of Vaporization: 53.46 kJ/mol; (20)Boiling Point: 275.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00302 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(\C=C)cc1O
(2)InChI: InChI=1/C8H8O2/c1-2-6-3-4-7(9)8(10)5-6/h2-5,9-10H,1H2
(3)InChIKey: FBTSUTGMWBDAAC-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H8O2/c1-2-6-3-4-7(9)8(10)5-6/h2-5,9-10H,1H2
(5)Std. InChIKey: FBTSUTGMWBDAAC-UHFFFAOYSA-N