CAS No.6380-23-0,3,4-DIMETHOXYSTYRENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6380-23-0
Name:	3,4-DIMETHOXYSTYRENE
Article Data:	81

Formula:	C₁₀H₁₂O₂
Molecular Weight:	164.204
Synonyms:	Styrene,3,4-dimethoxy- (7CI,8CI);Veratrole, 4-vinyl- (6CI);1,2-Dimethoxy-4-vinylbenzene;3,4-Dimethoxystyrene;3,4-Dimethoxystyrol;4-Vinyl-1,2-dimethoxybenzene;4-Vinylveratrole;
EINECS:	228-962-9
Density:	1.004 g/cm³
Boiling Point:	259.4 °C at 760 mmHg
Flash Point:	95.9 °C
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	26-36/37
PSA:	18.46000
LogP:	2.34680

Synthetic route

: 61078-14-6
1-methyl-2-(methylsulfonyl)-1H-benzo[d]imidazole

: 120-14-9
3,4-dimethoxy-benzaldehyde

: 6380-23-0
3,4-dimethoxystyrene

Conditions

Conditions	Yield
With sodium hexamethyldisilazane In N,N-dimethyl-formamide at -55 - 20℃; Reagent/catalyst; Temperature; Time; Inert atmosphere;	97%
With sodium hexamethyldisilazane In tetrahydrofuran; N,N-dimethyl-formamide at -55 - 20℃; for 2h; Reagent/catalyst; Temperature; Inert atmosphere;	97%

: 21852-32-4
4-bromomethyl-1,2-dimethoxybenzene

: 2181-42-2
trimethylsulphonium iodide

: 6380-23-0
3,4-dimethoxystyrene

Conditions

Conditions	Yield
With n-butyllithium; lithium iodide In tetrahydrofuran; hexane from 0 degC to room temp.;	95%

: 21852-32-4
4-bromomethyl-1,2-dimethoxybenzene

: 47025-43-4, 19365-61-8
methylenetriphenylarsorane

: 6380-23-0
3,4-dimethoxystyrene

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide; hexane for 1h; Ambient temperature;	95%

: 141-82-2
malonic acid

: 120-14-9
3,4-dimethoxy-benzaldehyde

A: 6380-23-0
3,4-dimethoxystyrene

B: 14737-89-4
3,4-dimethoxy-trans-cinnamic acid

Conditions

Conditions	Yield
With pyridine; acetic acid at 130℃; for 0.133333h; Knoevenagel-Doebner reaction; microwave irradiation;	A 4 % Spectr. B 91%

...Expand

: 67-71-0
dimethylsulfone

: 93-03-8
(3,4-dimethoxyphenyl)methanol

: 6380-23-0
3,4-dimethoxystyrene

Conditions

Conditions	Yield
With platinum on carbon; potassium tert-butylate; hydrogen In toluene under 1875.19 Torr; for 15h; Inert atmosphere; Reflux;	91%
With C15H25Cl2N3NiO3; potassium tert-butylate In toluene at 110℃; for 12h; Catalytic behavior; Reagent/catalyst; Temperature; Schlenk technique; Inert atmosphere;	76%

: 1779-49-3
Methyltriphenylphosphonium bromide

: 120-14-9
3,4-dimethoxy-benzaldehyde

: 6380-23-0
3,4-dimethoxystyrene

Conditions

Conditions	Yield
With n-butyllithium In tetrahydrofuran at -78℃; for 4h; Inert atmosphere;	90%
Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran; hexane; cyclohexane at 0℃; for 4h; Inert atmosphere; Stage #2: 3,4-dimethoxy-benzaldehyde In tetrahydrofuran; hexane; cyclohexane at 20℃; for 10h; Wittig Olefination; Inert atmosphere;	89%
Stage #1: Methyltriphenylphosphonium bromide With n-butyllithium In tetrahydrofuran; hexane at 0℃; for 2h; Schlenk technique; Stage #2: 3,4-dimethoxy-benzaldehyde In tetrahydrofuran at 0 - 20℃;	89%

: 74-85-1
ethene

: 93-15-2
1,2-dimethoxy-4-(2-propenyl)benzene

: 6380-23-0
3,4-dimethoxystyrene

Conditions

Conditions	Yield
With Hoveyda-Grubbs catalyst second generation; di-μ-bromobis-(tritert-butylphosphine)dipalladium(I) In tetrahydrofuran at 60℃; under 7500.75 Torr; for 16h; Autoclave;	90%

: 13170-43-9
(trimethylsilyl)methylmagnesium chloride

: 120-14-9
3,4-dimethoxy-benzaldehyde

: 6380-23-0
3,4-dimethoxystyrene

Conditions

Conditions	Yield
Stage #1: (trimethylsilyl)methylmagnesium chloride; 3,4-dimethoxy-benzaldehyde In tetrahydrofuran at 0 - 20℃; Peterson Olefination; Inert atmosphere; Stage #2: With bis(trifluoromethanesulfonyl)amide In 1,2-dichloro-ethane at 20℃; for 0.25h; Peterson Olefination;	89%

: 2065-66-9
methyl-triphenylphosphonium iodide

: 120-14-9
3,4-dimethoxy-benzaldehyde

: 6380-23-0
3,4-dimethoxystyrene

Conditions

Conditions	Yield
Stage #1: methyl-triphenylphosphonium iodide With potassium tert-butylate In tetrahydrofuran at 0℃; for 1h; Stage #2: 3,4-dimethoxy-benzaldehyde In tetrahydrofuran at 20℃; for 24h;	87%
Stage #1: methyl-triphenylphosphonium iodide With potassium tert-butylate In tetrahydrofuran for 1h; Inert atmosphere; Stage #2: 3,4-dimethoxy-benzaldehyde In tetrahydrofuran at 25℃; for 24h; Wittig reaction; Inert atmosphere;	75.2%
With tert-butoxide In tetrahydrofuran at 0℃; Wittig reaction;	60%

: 3112-85-4
Methyl phenyl sulfone

: 93-03-8
(3,4-dimethoxyphenyl)methanol

: 6380-23-0
3,4-dimethoxystyrene

Conditions

Conditions	Yield
With sodium hydride In mineral oil at 135℃; for 7h; Inert atmosphere; Schlenk technique;	85%

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Specification

The Benzene, 4-ethenyl-1, 2-dimethoxy-, with the CAS registry number 6380-23-0, is also known as 3, 4-Dimethoxystyrene. It belongs to the product categories of Monomers; Polymer Science; Styrene and Functionalized Styrene Monomers. And its EINECS registry number is 228-962-9. This chemical's molecular formula is C₁₀H₁₂O₂ and molecular weight is 164.2. What's more, its IUPAC name is 4-Ethenyl-1, 2-dimethoxybenzene. In addition, it must be stored in airtight containers at 2-8 °C.

Physical properties about Benzene, 4-ethenyl-1, 2-dimethoxy- are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.02; (6)ACD/BCF (pH 7.4): 49.02; (7)ACD/KOC (pH 5.5): 564.37; (8)ACD/KOC (pH 7.4): 564.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 50.53 cm³; (15)Molar Volume: 163.3 cm³; (16)Polarizability: 20.03×10^-24 cm³; (17)Surface Tension: 31 dyne/cm; (18)Density: 1.004 g/cm³; (19)Flash Point: 95.9 °C; (20)Enthalpy of Vaporization: 47.7 kJ/mol; (21)Boiling Point: 259.4 °C at 760 mmHg; (22)Vapour Pressure: 0.021 mmHg at 25 °C.

Preparation of Benzene, 4-ethenyl-1, 2-dimethoxy-: this chemical is prepared by reaction of 4-Bromomethyl-1, 2-dimethoxy-benzene with Trimethylsulfonium; iodide. This reaction needs reagents n-BuLi and LiI. Meanwhile, it needs solvents Tetrahydrofuran and Hexane. Other condition of this reaction is from 0 °C to room temp.. The yield is about 95 %.

The Benzene, 4-ethenyl-1, 2-dimethoxy- can be obtained by 4-Bromomethyl-1, 2-dimethoxy-benzene and Trimethylsulfonium; iodide.

Uses of Benzene, 4-ethenyl-1, 2-dimethoxy-: it is used to produce other chemicals. For example, it is used to produce 2-(3, 4-Dimethoxy-phenyl)-hexahydro-pyrrolo[1, 2-b]isoxazole by heating. The reaction needs solvent Toluene. The reaction time is 3 hours. The yield is about 88 %.

Benzene, 4-ethenyl-1, 2-dimethoxy- can react with 3, 4-Dihydro-2H-pyrrole 1-oxide to get 2-(3, 4-Dimethoxy-phenyl)-hexahydro-pyrrolo[1, 2-b]isoxazole.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1OC)\C=C)C
(2) InChI: InChI=1/C10H12O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h4-7H,1H2,2-3H3
(3) InChIKey: NJXYTXADXSRFTJ-UHFFFAOYAG