CAS No.6053-02-7,3,4-dihydroxystyrene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6053-02-7
Name:	3,4-dihydroxystyrene
Article Data:	27

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

Synthetic route

: 331-39-5
caffeic acid

: 6053-02-7
3,4-dihydroxystyrene

Conditions

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%

: 141-82-2
malonic acid

: 139-85-5
3,4-dihydroxybenzaldehyde

: 6053-02-7
3,4-dihydroxystyrene

Conditions

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;

: 139-85-5
3,4-dihydroxybenzaldehyde

: 105-53-3
diethyl malonate

: 6053-02-7
3,4-dihydroxystyrene

Conditions

Conditions	Yield
With 10H-phenothiazine; diisopropylamine In N,N-dimethyl-formamide; toluene at 70℃; for 15h;	89.3%

: 2065-66-9
methyl-triphenylphosphonium iodide

: 139-85-5
3,4-dihydroxybenzaldehyde

: 6053-02-7
3,4-dihydroxystyrene

Conditions

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;

: 331-39-5
caffeic acid

: 6053-02-7
3,4-dihydroxystyrene

Conditions

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;

: 124889-68-5
5-vinyl-benzo[1,3]dioxol-2-one

: 6053-02-7
3,4-dihydroxystyrene

Conditions

Conditions	Yield
With pyridine

: 124889-68-5
5-vinyl-benzo[1,3]dioxol-2-one

aqueous pyridine solution: aqueous pyridine solution

: 6053-02-7
3,4-dihydroxystyrene

: 331-39-5
caffeic acid

A: 99-50-3
3,4-Dihydroxybenzoic acid

B: 305-01-1
aesculetin

C: 6053-02-7
3,4-dihydroxystyrene

D: 331-39-5
cis-caffeic acid

Conditions

Conditions	Yield
In water for 3.26667h; pH=6.5; Kinetics; Mechanism; pH-value; UV-irradiation;

...Expand

: 139-85-5
3,4-dihydroxybenzaldehyde

: 6053-02-7
3,4-dihydroxystyrene

Conditions

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

: 1779-49-3
Methyltriphenylphosphonium bromide

: 139-85-5
3,4-dihydroxybenzaldehyde

: 6053-02-7
3,4-dihydroxystyrene

Conditions

Conditions	Yield
Wittig Olefination;

Raw Materials

2065-66-9

331-39-5

139-85-5

141-82-2

Downstream Products

120-80-9

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Specification

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