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Cas Database |
| Name |
1,4-Benzodioxane-6-carboxaldehyde |
EINECS | 249-763-3 |
| CAS No. | 29668-44-8 | Density | 1.262 g/cm3 |
| PSA | 35.53000 | LogP | 1.27030 |
| Solubility | N/A | Melting Point |
50-52 °C(lit.) |
| Formula | C9H8O3 | Boiling Point | 221.2 °C at 760 mmHg |
| Molecular Weight | 164.161 | Flash Point | 116 °C |
| Transport Information | N/A | Appearance | Yellowish-beige powder and chunks |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| 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; |
Article Data | 47 |
1,4-Benzodioxane-6-carboxaldehyde Synthetic route
- 106-93-4
ethylene dibromide
- 139-85-5
3,4-dihydroxybenzaldehyde
- 29668-44-8
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% |
- 107-06-2
1,2-dichloro-ethane
- 139-85-5
3,4-dihydroxybenzaldehyde
- 29668-44-8
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; |
- 82102-37-2
9-methyl-9H-fluorene-9-carbonyl chloride
- 52287-51-1
6-bromo-1,4-benzodioxane
- 29668-44-8
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% |
- 493-09-4
benzo-1,4-dioxane
- 100-97-0
hexamethylenetetramine
- 29668-44-8
2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde
| Conditions | Yield |
|---|---|
| In trifluoroacetic acid at 90 - 95℃; for 24h; | 72% |
- 493-09-4
benzo-1,4-dioxane
- 74-90-8
hydrogen cyanide
- 29668-44-8
2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde
| Conditions | Yield |
|---|---|
| With hydrogenchloride; aluminium trichloride Zersetzung des Reaktionsprodukts durch Erhitzen mit verd. Salzsaeure; |
- 493-09-4
benzo-1,4-dioxane
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 29668-44-8
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; |
- 29668-44-8
2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde
| Conditions | Yield |
|---|---|
| With zinc(II) cyanide; hydrogenchloride; aluminium trichloride anschliessendes Behandeln mit wss. Salzsaeure; |
- 106-93-4
ethylene dibromide
- 29668-44-8
2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde
| Conditions | Yield |
|---|---|
| With ethanol |
- 139-85-5
3,4-dihydroxybenzaldehyde
- 29668-44-8
2,3-dihydro-benzo[1,4]dioxin-6-carbaldehyde
| Conditions | Yield |
|---|---|
| With caesium carbonate In N,N-dimethyl-formamide |
- 78490-09-2
1-benzoyl-1-<2-(hydroxy)phenoxy>ethane
- 29668-44-8
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 |
1,4-Benzodioxane-6-carboxaldehyde Specification
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%.
![1,4-Benzodioxin-6-carboxaldehyde,2,3-dihydro- can be used to produce 5,10,15,20-tetrakis-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-porphyrine by heating](/UserFilesUpload/Uses of 1,4-Benzodioxin-6-carboxaldehyde,2,3-dihydro-.png)
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
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