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CAS No.: | 3588-31-6 |
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Name: | 2,3-Dimethoxy-1,3-butadiene |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C6H10O2 |
Molecular Weight: | 114.144 |
Synonyms: | 2,3-Dimethoxybuta-1,3-diene;2,3-Dimethoxybutadiene;1,3-butadiene, 2,3-dimethoxy-; |
Density: | 0.877 g/cm3 |
Melting Point: | 19 °C |
Boiling Point: | 151 °C at 760 mmHg |
Flash Point: | 42.8 °C |
Hazard Symbols: | R10:; |
Risk Codes: | R10 |
Safety: | S16;S33 |
Transport Information: | UN 1993 |
PSA: | 18.46000 |
LogP: | 1.30660 |
Conditions | Yield |
---|---|
With sulfuric acid In methanol for 12h; Heating; | 73% |
With sulfuric acid In methanol for 10h; Reflux; | 68% |
Stage #1: dimethylglyoxal; trimethyl orthoformate With sulfuric acid In methanol for 10h; Reflux; Stage #2: With ammonium dihydrogen phosphate; hydroquinone In methanol at 100 - 110℃; | 68% |
methanol
dimethylglyoxal
trimethyl orthoformate
2,3-dimethoxy-1,3-butadiene
Conditions | Yield |
---|---|
sulfuric acid for 10h; Heating / reflux; | 68% |
meso-1,4-diiodo-2,3-dimethoxy-butane
2,3-dimethoxy-1,3-butadiene
Conditions | Yield |
---|---|
With sodium hydroxide; ethoxyethoxyethanol at 200℃; |
Conditions | Yield |
---|---|
With sodium hydroxide at 160℃; |
meso-1,4-diiodo-2,3-dimethoxy-butane
ethoxyethoxyethanol
2,3-dimethoxy-1,3-butadiene
Conditions | Yield |
---|---|
at 200℃; |
Conditions | Yield |
---|---|
With lanthanum(lll) triflate at 20℃; for 0.5h; hetero-Diels-Alder reaction; | 98% |
Conditions | Yield |
---|---|
With rhodium(II) pivalate at 20℃; for 3h; | 98% |
2,3-dimethoxy-1,3-butadiene
2-diazo-1H-phenalene-1,3(2H)-dione
Conditions | Yield |
---|---|
With rhodium(II) pivalate at 20℃; for 3h; | 98% |
Conditions | Yield |
---|---|
With hydroquinone In dichloromethane at 50℃; under 6000600 Torr; for 20h; Diels-Alder reaction; | 98% |
(4,4-dimethyl-2,6-dioxo-cyclohexyl)-phenyl-iodonium betaine
2,3-dimethoxy-1,3-butadiene
Conditions | Yield |
---|---|
rhodium(II) pivalate at 20℃; for 12h; | 90% |
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The 2,3-Dimethoxy-1,3-butadiene with the cas number 3588-31-6, is also called 2,3-dimethoxybuta-1,3-diene. This chemical belongs to the following product categories: (1)Enol Ethers; (2)Organic Building Blocks; (3)Oxygen Compounds.When you are using this chemical, please be cautious about it as the following: (1)Flammable; (2)Keep away from sources of ignition; (3)Take precautionary measures against static discharges.
The properties of the chemical are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 3.72; (6)ACD/BCF (pH 7.4): 3.72; (7)ACD/KOC (pH 5.5): 89.16; (8)ACD/KOC (pH 7.4): 89.16; (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: 1.413; (14)Molar Refractivity: 32.47 cm3; (15)Molar Volume: 130 cm3; (16)Polarizability: 12.87×10-24cm3; (17)Surface Tension: 21.6 dyne/cm; (18)Enthalpy of Vaporization: 37.19 kJ/mol; (19)Vapour Pressure: 4.76 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(/C(=C)C(\OC)=C)C
(2)InChI: InChI=1/C6H10O2/c1-5(7-3)6(2)8-4/h1-2H2,3-4H3