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CAS No.: | 32281-36-0 |
---|---|
Name: | Benzo[1,2-b:4,5-b']dithiophene-4,8-dione |
Article Data: | 32 |
Molecular Structure: | |
Formula: | C10H4O2S2 |
Molecular Weight: | 220.273 |
Synonyms: | Thieno[2,3-f][1]benzothiophene-4,8-dione; |
EINECS: | 605-241-0 |
Density: | 1.595 g/cm3 |
Melting Point: | 260-262℃ |
Boiling Point: | 408 °C at 760 mmHg |
Flash Point: | 200.6 °C |
Safety: | 24/25 |
PSA: | 90.62000 |
LogP: | 2.58500 |
3-thiophenecarboxylic acid,N,N-diethylamide
4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran at 0 - 20℃; Temperature; Inert atmosphere; | 86.1% |
With n-butyllithium In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; Cooling with ice; | 80% |
With n-butyllithium In tetrahydrofuran at 0℃; | 80% |
3-thiophene carboxaldehyde
3-thiophenecarboxylic acid,N,N-diethylamide
4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione
Conditions | Yield |
---|---|
With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium In diethyl ether 1.) -78 deg C, 1 h, 2.) -78 deg C -> RT, 12 h; | 77% |
3-thiophene carboxylic acid chloride
3-thiophenecarboxylic acid,N,N-diethylamide
4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran at -30 - 20℃; Inert atmosphere; | 77% |
N,N-dimethyl-3-thiophene carboxamide
4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione
Conditions | Yield |
---|---|
With n-butyllithium In diethyl ether; hexane for 12h; | 56% |
With n-butyllithium In hexane; water; benzene |
2,3-thiophenedicarboxylic acid anhydride
4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione
Conditions | Yield |
---|---|
In neat (no solvent) at 270℃; for 2.5h; | 24% |
2,3-thiophenedicarboxylic acid anhydride
A
4H-cyclopenta[2,1-b:3,4-b']dithiophen-4-one
B
4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione
Conditions | Yield |
---|---|
at 500℃; under 1 - 5 Torr; | A 1.2% B n/a |
1H,3H-thieno[3,4-c]furan-1,3-dione
A
4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione
B
4,8-Dihydrobenzo<1,2-b:4,5-c'>dithiophen-4,8-dion
Conditions | Yield |
---|---|
at 470℃; for 0.00833333h; | A 0.12% B 0.36% |
n-butyllithium
3-thiophenecarboxylic acid,N,N-diethylamide
A
1-(3-thienyl)-1-pentanone
B
4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione
C
N,N-diethyl-2-(1,1,1,3,3-pentafluoro-2-hydroxypropan-2-yl)thiophene-3-carboxamide
Conditions | Yield |
---|---|
With N,N,N,N,-tetramethylethylenediamine; foscarnet 1.) hexane, ether, -78 deg C, 1.5 h, 2.) hexane, ether, a) -78 deg C, 7 h, b) RT, 12 h; Yield given. Multistep reaction. Yields of byproduct given; |
1,1,1,3,3-pentafluoro-2-propanone
3-thiophenecarboxylic acid,N,N-diethylamide
A
1-(3-thienyl)-1-pentanone
B
4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione
C
N,N-diethyl-2-(1,1,1,3,3-pentafluoro-2-hydroxypropan-2-yl)thiophene-3-carboxamide
Conditions | Yield |
---|---|
With n-butyllithium; N,N,N,N,-tetramethylethylenediamine 1.) hexane, ether, -78 deg C, 1.5 h, 2.) hexane, ether, a) -78 deg C, 7 h, b) RT, 12 h; Yield given. Multistep reaction. Yields of byproduct given; |
3-thiophenecarboxylic acid,N,N-diethylamide
A
1-(3-thienyl)-1-pentanone
B
4,8-dihydrobenzo[1,2-b:4,5-b']dithiophene-4,8-dione
C
N,N-diethyl-2-(1,1,1,3,3-pentafluoro-2-hydroxypropan-2-yl)thiophene-3-carboxamide
Conditions | Yield |
---|---|
With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; foscarnet 1.) hexane, ether, -78 deg C, 1.5 h, 2.) hexane, ether, a) -78 deg C, 7 h, b) RT, 12 h; Yield given. Multistep reaction. Yields of byproduct given; |
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The Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, with the CAS registry number 32281-36-0, is also known as Thieno[2,3-f][1]benzothiophene-4,8-dione. This chemical's molecular formula is C10H4O2S2 and molecular weight is 220.2676. What's more, its systematic name is called Benzo[1,2-b:4,5-b']bisthiophene-4,8-dione.
Physical properties about Benzo[1,2-b:4,5-b']dithiophene-4,8-dione are: (1)ACD/LogP: 2.74; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 90.62 Å2; (7)Index of Refraction: 1.736; (8)Molar Refractivity: 55.43 cm3; (9)Molar Volume: 138 cm3; (10)Polarizability: 21.97×10-24 cm3; (11)Surface Tension: 73.8 dyne/cm; (12)Density: 1.595 g/cm3; (13)Flash Point: 200.6 °C; (14)Enthalpy of Vaporization: 66 kJ/mol; (15)Boiling Point: 408 °C at 760 mmHg; (16)Vapour Pressure: 7.23E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c3sccc3C(=O)c1sccc12
(2) InChI: InChI=1/C10H4O2S2/c11-7-5-1-3-13-9(5)8(12)6-2-4-14-10(6)7/h1-4H
(3) InChIKey: SIUXRPJYVQQBAF-UHFFFAOYAI