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CAS No.: | 29668-44-8 |
---|---|
Name: | 1,4-BENZODIOXAN-6-CARBOXALDEHYDE |
Article Data: | 47 |
Molecular Structure: | |
Formula: | C9H8O3 |
Molecular Weight: | 164.161 |
Synonyms: | 1,4-Benzodioxan-6-carboxaldehyde(6CI,7CI,8CI);1,4-Benzodioxane-6-aldehyde;2,3-Dihydro-1,4-benzodioxan-6-carboxaldehyde;2,3-Dihydro-1,4-benzodioxin-6-aldehyde;2,3-Dihydro-1,4-benzodioxin-6-carboxaldehyde;2,3-Dihydrobenzo[1,4]dioxine-6-carboxaldehyde;2,3-Dihydrobenzo[b][1,4]dioxine-6-carboxaldehyde;3,4-Ethylenedioxybenzaldehyde; |
EINECS: | 249-763-3 |
Density: | 1.262 g/cm3 |
Melting Point: | 50-52 °C(lit.) |
Boiling Point: | 221.2 °C at 760 mmHg |
Flash Point: | 116 °C |
Appearance: | Yellowish-beige powder and chunks |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 35.53000 |
LogP: | 1.27030 |
ethylene dibromide
3,4-dihydroxybenzaldehyde
2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl-formamide at 70℃; for 16h; | 97% |
With caesium carbonate In DMF (N,N-dimethyl-formamide) at 70℃; for 16h; | 97% |
With sodium hydroxide; tetrabutylammomium bromide In water | 90% |
1,2-dichloro-ethane
3,4-dihydroxybenzaldehyde
2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde
Conditions | Yield |
---|---|
With potassium carbonate In N,N-dimethyl-formamide at 105℃; for 4h; | 90% |
With potassium carbonate In acetone at 50 - 60℃; for 29h; |
9-methyl-9H-fluorene-9-carbonyl chloride
6-bromo-1,4-benzodioxane
2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde
Conditions | Yield |
---|---|
With dichloro(1,5-cyclooctadiene)palladium(II); N-Methyldicyclohexylamine; potassium formate; tetra-(n-butyl)ammonium iodide; tricyclohexylphosphine tetrafluoroborate; bis(dibenzylideneacetone)-palladium(0); tri tert-butylphosphoniumtetrafluoroborate at 100℃; for 18h; Reagent/catalyst; Solvent; Sealed tube; Glovebox; Inert atmosphere; | 81% |
benzo-1,4-dioxane
hexamethylenetetramine
2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde
Conditions | Yield |
---|---|
In trifluoroacetic acid at 90 - 95℃; for 24h; | 72% |
benzo-1,4-dioxane
hydrogen cyanide
2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde
Conditions | Yield |
---|---|
With hydrogenchloride; aluminium trichloride Zersetzung des Reaktionsprodukts durch Erhitzen mit verd. Salzsaeure; |
benzo-1,4-dioxane
N,N-dimethyl-formamide
2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde
Conditions | Yield |
---|---|
With N-Bromosuccinimide; n-butyllithium 1) MeOH, 2) THF, -78 deg C; Multistep reaction; |
2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde
Conditions | Yield |
---|---|
With zinc(II) cyanide; hydrogenchloride; aluminium trichloride anschliessendes Behandeln mit wss. Salzsaeure; |
ethylene dibromide
2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde
Conditions | Yield |
---|---|
With ethanol |
3,4-dihydroxybenzaldehyde
2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde
Conditions | Yield |
---|---|
With caesium carbonate In N,N-dimethyl-formamide |
1-benzoyl-1-<2-(hydroxy)phenoxy>ethane
2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 1) AlCl3, 2) 10percent HCl / 1) benzene, temp ,40 deg C, 2) benzene, 1 h, 50 deg C 2: 48percent HBr / 15 h / Ambient temperature 3: 48 percent / NaOMe / methanol / 24 h / Heating View Scheme |
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The 1,4-Benzodioxin-6-carboxaldehyde,2,3-dihydro- is an organic compound with the formula C9H8O3. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Aldehydes; Benzodioxanes Carbonyl Compounds; Building Blocks; C9; Heterocyclic Building Blocks. Its EINECS registry number is 249-763-3. With the CAS registry number 29668-44-8, its IUPAC name is 2,3-dihydro-1,4-benzodioxine-6-carbaldehyde. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. It is yellowish-beige powder and chunks. The product should be sealed and stored in cool, dry and well-ventilated place. What's more, it should be protected from strong oxides.
Physical properties of 1,4-Benzodioxin-6-carboxaldehyde,2,3-dihydro-: (1)ACD/LogP: 1.54; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Index of Refraction: 1.588; (5)Molar Refractivity: 43.77 cm3; (6)Molar Volume: 130 cm3; (7)Surface Tension: 51.1 dyne/cm; (8)Density: 1.262 g/cm3; (9)Flash Point: 116 °C; (10)Enthalpy of Vaporization: 45.76 kJ/mol; (11)Boiling Point: 221.2 °C at 760 mmHg; (12)Vapour Pressure: 0.109 mmHg at 25°C.
Preparation of 1,4-Benzodioxin-6-carboxaldehyde,2,3-dihydro-: this chemical can be prepared by 3,4-dihydroxy-benzaldehyde and 1,2-dibromo-ethane. This reaction will need reagent sodium hydroxide and solvent H2O. The reaction time is 1 hour. The yield is about 50%.
Uses of 1,4-Benzodioxin-6-carboxaldehyde,2,3-dihydro-: it can be used to produce 5,10,15,20-tetrakis-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-porphyrine by heating. This reaction will need solvent propionic acid with reaction time of 1 hour. The yield is about 16.4%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COC2=C(O1)C=CC(=C2)C=O
(2)InChI: InChI=1S/C9H8O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5-6H,3-4H2
(3)InChIKey: CWKXDPPQCVWXAG-UHFFFAOYSA-N