- 3-ACETYL-2,4,5-TRIMETHYL-PYRROLE
- 3-Acetyl-2,4-dimethylpyrrole
- 3-Acetyl-2,5-dichlorothiophene
- 3-ACETYL-2,5-DIMETHYLFURAN
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- 3-Acetyl-2,5-dimethylthiophene
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Cas Database |
| Name |
3-Acetyl-2,5-dichlorothiophene |
EINECS | 252-893-3 |
| CAS No. | 36157-40-1 | Density | 1.452 g/cm3 |
| PSA | 45.31000 | LogP | 3.25750 |
| Solubility | N/A | Melting Point |
37-40 °C(lit.) |
| Formula | C6H4Cl2OS | Boiling Point | 233.9 °C at 760 mmHg |
| Molecular Weight | 195.069 | Flash Point | 95.3 °C |
| Transport Information | N/A | Appearance | white to light yellow crystal powder |
| Safety | 26-36-36/37/39-22-36/37 | Risk Codes | 20/21/22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
1-(2,5-Dichloro-3-thienyl)ethanone;1-(2,5-Dichlorothiophen-3-yl)ethanone;2,5-Dichloro-3-acetylthiophene;2,5-Dichloro-3-thienyl methyl ketone; |
Article Data | 10 |
3-Acetyl-2,5-dichlorothiophene Synthetic route
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride In carbon disulfide at 20℃; for 25h; Friedel-Crafts Acylation; | 90% |
| With aluminum (III) chloride In carbon disulfide at 20℃; | 76.7% |
| With aluminium trichloride In chloroform at 20℃; for 5h; | 52% |
- 61170-81-8
1-methyl-4-chlorobutenal
- 16911-84-5
thioacetyl chloride
- 36157-40-1
3-acetyl-2,5-dichlorothiophene
| Conditions | Yield |
|---|---|
| Stage #1: 1-methyl-4-chlorobutenal With sodium hydrogencarbonate In acetone at -15 - 10℃; for 1h; Stage #2: thioacetyl chloride In acetone at 75℃; for 4h; Solvent; Temperature; Reagent/catalyst; | 117.6 g |
- 36157-40-1
3-acetyl-2,5-dichlorothiophene
- 59160-46-2
2-bromo-1-(2,5-dichlorothien-3-yl)ethanone
| Conditions | Yield |
|---|---|
| 100% | |
| With bromine; acetic acid at 15 - 25℃; | 85% |
- 36157-40-1
3-acetyl-2,5-dichlorothiophene
- 4637-24-5
N,N-dimethyl-formamide dimethyl acetal
- 166196-79-8
1-(2,5-dichloro-3-thienyl)-3-(dimethylamino)prop-2-en-1-one
| Conditions | Yield |
|---|---|
| Reflux; | 100% |
- 36157-40-1
3-acetyl-2,5-dichlorothiophene
- 100-44-7
benzyl chloride
- 160982-09-2
3-Acetyl-2-(phenylmethyl)thio-5-chlorothiophene
| Conditions | Yield |
|---|---|
| Stage #1: benzyl chloride With thiourea In ethanol; water for 2h; Reflux; Large scale; Stage #2: 3-acetyl-2,5-dichlorothiophene With sodium hydroxide In ethanol; water for 3h; Reflux; Large scale; regioselective reaction; | 97% |
| With sodium hydroxide; sodium hypochlorite; thiourea In ethanol; water |
- 36157-40-1
3-acetyl-2,5-dichlorothiophene
- 73568-29-3
2-chloro-6-methoxyquinolin-3-carboxaldehyde
- 1253278-28-2
(2E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-(2,5-dichlorothien-3-yl)prop-2-en-1-one
| Conditions | Yield |
|---|---|
| With sodium hydroxide In methanol; water at 20℃; for 2h; Claisen Schmidt condensation; | 96% |
| With sodium hydroxide In ethanol; water |
- 36157-40-1
3-acetyl-2,5-dichlorothiophene
- 1245550-94-0
C6H4ClO4S2(1-)*Na(1+)
| Conditions | Yield |
|---|---|
| With sodium sulfite In ethanol at 25 - 110℃; Reflux; | 95.5% |
| With sodium sulfite In ethanol; water at 25 - 110℃; Reflux; | 95.5% |
- 36157-40-1
3-acetyl-2,5-dichlorothiophene
- 613-45-6
2,4-Dimethoxybenzaldehyde
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol at 20℃; for 10h; Claisen-Schmidt Condensation; | 95% |
- 110-91-8
morpholine
- 36157-40-1
3-acetyl-2,5-dichlorothiophene
- 210098-03-6
3-acetyl-5-chloro-2-(4-morpholino)thiophene
| Conditions | Yield |
|---|---|
| 94% |
- 36157-40-1
3-acetyl-2,5-dichlorothiophene
- 34841-06-0
3-bromo-4-methoxybenzylaldehyde
| Conditions | Yield |
|---|---|
| With potassium hydroxide In methanol at 20℃; for 10h; Claisen-Schmidt Condensation; | 94% |
3-Acetyl-2,5-dichlorothiophene Specification
The 3-Acetyl-2,5-dichlorothiophene is an organic compound with the formula C6H4Cl2OS. The IUPAC name of this chemical is 1-(2,5-dichlorothiophen-3-yl)ethanone. With the CAS registry number 36157-40-1, it is also named as Ethanone, 1-(2,5-dichloro-3-thienyl)-. The product's categories are Sulphur Derivatives; Heterocycles series; Thiophene & Benzothiophene; Miscellaneous. Besides, it is a white to light yellow crystal powder, which should be stored in closed cool and dry place. It is an important fine organic intermediate which widely used in the fields of medicine and chemical industry.
Physical properties about 3-Acetyl-2,5-dichlorothiophene are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.82; (4)ACD/BCF (pH 5.5): 82.38; (5)ACD/BCF (pH 7.4): 82.38; (6)ACD/KOC (pH 5.5): 818.41; (7)ACD/KOC (pH 7.4): 818.41; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.31 Å2; (11)Index of Refraction: 1.575; (12)Molar Refractivity: 44.45 cm3; (13)Molar Volume: 134.3 cm3; (14)Polarizability: 17.62×10-24cm3; (15)Surface Tension: 44.6 dyne/cm; (16)Density: 1.452 g/cm3; (17)Flash Point: 95.3 °C; (18)Enthalpy of Vaporization: 47.07 kJ/mol; (19)Boiling Point: 233.9 °C at 760 mmHg; (20)Vapour Pressure: 0.0543 mmHg at 25°C.
Preparation: this chemical can be prepared by 2,5-dichloro-thiophene and acetyl chloride. This reaction will need reagent aluminium chloride and petroleum ether.
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Uses of 3-Acetyl-2,5-dichlorothiophene: it can be used to produce 1-(5-chloro-thiophen-3-yl)-ethanone by heating. It will need reagent Zn and solvent H2O, acetic acid with reaction time of 2.5 hours. The yield is about 91%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin and do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1sc(Cl)c(C(=O)C)c1
(2)InChI: InChI=1/C6H4Cl2OS/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3
(3)InChIKey: GYFDNIRENHZKGR-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H4Cl2OS/c1-3(9)4-2-5(7)10-6(4)8/h2H,1H3
(5)Std. InChIKey: GYFDNIRENHZKGR-UHFFFAOYSA-N
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