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| CAS No.: | 211235-87-9 |
|---|---|
| Name: | 2,3-Dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C8H6O4S |
| Molecular Weight: | 198.199 |
| Synonyms: | 2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXINE-5,7-DICARBALDEHYDE |
| Density: | 1.511 g/cm3 |
| Melting Point: | 155 °C |
| Boiling Point: | 403.4 °C at 760 mmHg |
| Flash Point: | 197.8 °C |
| PSA: | 80.84000 |
| LogP: | 1.14430 |
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- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
- 1269767-35-2
3,4-ethylenedioxythiophene-2,5-dicarbonitrile
- 211235-87-9
2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxaldehyde
| Conditions | Yield |
|---|---|
| With diisobutylaluminium hydride In toluene at 0℃; | 80% |
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 126213-50-1
3,4-(ethylenedioxy)thiophene
- 211235-87-9
2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 3,4-(ethylenedioxy)thiophene With n-butyllithium In tetrahydrofuran at -78 - 0℃; Inert atmosphere; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at -78 - 20℃; for 2h; Inert atmosphere; | 75% |
| With n-butyllithium In tetrahydrofuran at -78 - 20℃; Formylation; | 72% |
| With n-butyllithium In tetrahydrofuran at -78 - 20℃; | 62% |
| With n-butyllithium | |
| Stage #1: 3,4-(ethylenedioxy)thiophene With n-butyllithium In tetrahydrofuran at -78 - 0℃; for 0.333333h; Inert atmosphere; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at -78 - 0℃; for 2h; Inert atmosphere; |
- 350474-52-1
2,5-di(hydroxymethyl)-3,4-ethylenedioxythiophene
- 211235-87-9
2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxaldehyde
| Conditions | Yield |
|---|---|
| With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In dimethyl sulfoxide at 20℃; for 96h; | 66% |
- 75-27-4
bromodichloromethane
- 126213-50-1
3,4-(ethylenedioxy)thiophene
A
- 211235-87-9
2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxaldehyde
B
- 204905-77-1
3,4-ethylenedioxythiophene-2-carboxaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: bromodichloromethane; 3,4-(ethylenedioxy)thiophene With 1,1'-bis-(diphenylphosphino)ferrocene; potassium phosphate; palladium diacetate; acetic anhydride; silver carbonate In acetonitrile at 60℃; for 48h; Schlenk technique; Inert atmosphere; Stage #2: With hydrogenchloride In dichloromethane at 30℃; Overall yield = 66 %; | A 43% B 22% |
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 204905-77-1
3,4-ethylenedioxythiophene-2-carboxaldehyde
- 211235-87-9
2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: N,N-dimethyl-formamide; 3,4-ethylenedioxythiophene-2-carboxaldehyde With trichlorophosphate In 1,2-dichloro-ethane at 20℃; for 0.5h; Vilsmeier-Haack Formylation; Stage #2: In 1,2-dichloro-ethane at 80℃; for 5h; Vilsmeier-Haack Formylation; Stage #3: With hydrogenchloride In water at 20℃; Vilsmeier-Haack Formylation; | 21% |
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 126213-50-1
3,4-(ethylenedioxy)thiophene
A
- 211235-87-9
2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxaldehyde
B
- 204905-77-1
3,4-ethylenedioxythiophene-2-carboxaldehyde
| Conditions | Yield |
|---|---|
| With n-butyllithium; potassium tert-butylate; lithium bromide 1.) THF, hexane, -90 deg C, 30 min, 2.) -90 deg c to room temperature; Yield given; Multistep reaction. Yields of byproduct given; |
- 211235-87-9
2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxaldehyde
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium carbonate; tetrabutylammomium bromide / N,N-dimethyl-formamide / 135 °C / Inert atmosphere 2: diisobutylaluminium hydride / toluene / 0 °C View Scheme |
- 126213-50-1
3,4-(ethylenedioxy)thiophene
- 211235-87-9
2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxaldehyde
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: trichlorophosphate / 1,2-dichloro-ethane / 5 h / 80 °C 2.1: trichlorophosphate / 1,2-dichloro-ethane / 0.5 h / 20 °C 2.2: 5 h / 80 °C 2.3: 20 °C View Scheme |
- 618-40-6
1-Methyl-1-phenylhydrazine
- 211235-87-9
2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxaldehyde
- 1141893-87-9
3,4-ethylenedioxythiophene-2,5-dicarbaldehyde di(N-methyl-N-phenylhydrazone)
| Conditions | Yield |
|---|---|
| In ethanol Reflux; | 85% |
- 530-47-2
N,N-diphenylhydrazine hydrochloride
- 211235-87-9
2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxaldehyde
- 1141893-88-0
3,4-ethylenedioxythiophene-2,5-dicarbaldehyde di(N,N-diphenylhydrazone)
| Conditions | Yield |
|---|---|
| In ethanol Reflux; | 79% |
- Total:19 Page 1 of 1 1
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Specification
The 2,3-Dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde, with CAS registry number 211235-87-9, has the systematic name of 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde. Besides this, it is also called thieno[3,4-b]-1,4-dioxin-5,7-dicarboxaldehyde, 2,3-dihydro-. And the chemical formula of this chemical is C8H6O4S.
Physical properties of 2,3-Dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 80.84 Å2; (7)Index of Refraction: 1.668; (8)Molar Refractivity: 48.91 cm3; (9)Molar Volume: 131.1 cm3; (10)Polarizability: 19.39×10-24cm3; (11)Surface Tension: 67.4 dyne/cm; (12)Density: 1.511 g/cm3; (13)Flash Point: 197.8 °C; (14)Enthalpy of Vaporization: 65.47 kJ/mol; (15)Boiling Point: 403.4 °C at 760 mmHg; (16)Vapour Pressure: 1.02E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1sc(c2OCCOc12)C=O
(2)InChI: InChI=1/C8H6O4S/c9-3-5-7-8(6(4-10)13-5)12-2-1-11-7/h3-4H,1-2H2
(3)InChIKey: OYWUVHMKKSZDJH-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H6O4S/c9-3-5-7-8(6(4-10)13-5)12-2-1-11-7/h3-4H,1-2H2
(5)Std. InChIKey: OYWUVHMKKSZDJH-UHFFFAOYSA-N