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Cas Database |
| Name |
5-Chloroethyl-6-chloro-1,3-dihydro-2H-indole-2-one |
EINECS | 421-320-0 |
| CAS No. | 118289-55-7 | Density | 1.376 g/cm3 |
| PSA | 29.10000 | LogP | 2.75390 |
| Solubility | N/A | Melting Point |
218-221oC |
| Formula | C10H9Cl2NO | Boiling Point | 393.82 °C at 760 mmHg |
| Molecular Weight | 230.094 | Flash Point | 191.976 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 60-61 | Risk Codes | 50/53 |
| Molecular Structure |
|
Hazard Symbols |
 N
|
| Synonyms |
5-(2-Chloroethyl)-6-chloro-1,3-dihydro-2H-indol-2-one;5-(2-Chloroethyl)-6-chlorooxindole;6-Chloro-5-(2-chloroethyl)-2-oxoindoline;6-Chloro-5-(2-chloroethyl)indolin-2-one;6-Chloro-5-(2-chloroethyl)oxindole; |
Article Data | 14 |
5-Chloroethyl-6-chloro-1,3-dihydro-2H-indole-2-one Synthetic route
- 118289-55-7
6-chloro-5-(2-chloroethyl)-2-oxindole
| Conditions | Yield |
|---|---|
| With triphenylphosphine In tetrahydrofuran; tetrachloromethane for 3h; Reflux; | 97% |
- 118289-55-7
6-chloro-5-(2-chloroethyl)-2-oxindole
| Conditions | Yield |
|---|---|
| With lithium chloride In N,N-dimethyl-formamide at 50℃; for 8h; | 95% |
- 118307-04-3
6-chloro-5-(2-chloroacetyl) indolin-2-one
- 118289-55-7
6-chloro-5-(2-chloroethyl)-2-oxindole
| Conditions | Yield |
|---|---|
| With triethylsilane; trifluoroacetic acid | |
| Stage #1: 6-chloro-5-(2-chloroacetyl) indolin-2-one With triethylsilane; trifluoroacetic acid at 0 - 35℃; for 7h; Stage #2: With water at 5 - 10℃; for 1h; | |
| With triethylsilane In trifluoroacetic acid at -5 - 45℃; for 7.5h; |
- 56341-37-8
6-chloro-2-oxindole
- 118289-55-7
6-chloro-5-(2-chloroethyl)-2-oxindole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: AlCl3 / CS2 2: Et3SiH, CF3COOH View Scheme | |
| Multi-step reaction with 2 steps 1.1: aluminum (III) chloride / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 1.2: 35 - 37 °C / Inert atmosphere 2.1: trifluoroacetic acid / 0.25 h / 25 - 30 °C / Inert atmosphere 2.2: 0 - 35 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 2 steps 1: aluminum (III) chloride / dichloromethane / 20 h / Reflux; Inert atmosphere 2: aluminum (III) chloride; 1,1,3,3-Tetramethyldisiloxane / dichloromethane / 0 °C / Inert atmosphere View Scheme |
- 118307-04-3
6-chloro-5-(2-chloroacetyl) indolin-2-one
A
- 884305-06-0
6-chloro-5-(2-chloro-1-hydroxyethyl) indolin-2-one
B
- 118289-55-7
6-chloro-5-(2-chloroethyl)-2-oxindole
| Conditions | Yield |
|---|---|
| With triethylsilane; trifluoroacetic acid for 7h; | |
| With aluminum (III) chloride; 1,1,3,3-Tetramethyldisiloxane In dichloromethane at 0℃; Inert atmosphere; chemoselective reaction; |
- 884305-06-0
6-chloro-5-(2-chloro-1-hydroxyethyl) indolin-2-one
- 118289-55-7
6-chloro-5-(2-chloroethyl)-2-oxindole
| Conditions | Yield |
|---|---|
| Stage #1: 6-chloro-5-(2-chloro-1-hydroxyethyl) indolin-2-one With trifluoroacetic acid at 20℃; for 1h; Stage #2: With triethylsilane at 35 - 40℃; for 13.5 - 15.5h; | |
| Stage #1: 6-chloro-5-(2-chloro-1-hydroxyethyl) indolin-2-one With trifluoroacetic acid at 20℃; for 1h; Stage #2: With triethylsilane at 35 - 40℃; for 13.5 - 15.5h; |
- 89-61-2
2,5-dichloronitrobenzene
- 118289-55-7
6-chloro-5-(2-chloroethyl)-2-oxindole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: potassium carbonate / dimethyl sulfoxide / 25 - 30 °C / Inert atmosphere 1.2: 16 h / 40 - 85 °C 2.1: hydrogenchloride; tin / water; methanol / 10 - 70 °C 3.1: aluminum (III) chloride / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 3.2: 35 - 37 °C / Inert atmosphere 4.1: trifluoroacetic acid / 0.25 h / 25 - 30 °C / Inert atmosphere 4.2: 0 - 35 °C / Inert atmosphere View Scheme |
- 147124-32-1
dimethyl (4-chloro-2-nitrophenyl)malonate
- 118289-55-7
6-chloro-5-(2-chloroethyl)-2-oxindole
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: hydrogenchloride; tin / water; methanol / 10 - 70 °C 2.1: aluminum (III) chloride / 1,2-dichloro-ethane / 20 °C / Inert atmosphere 2.2: 35 - 37 °C / Inert atmosphere 3.1: trifluoroacetic acid / 0.25 h / 25 - 30 °C / Inert atmosphere 3.2: 0 - 35 °C / Inert atmosphere View Scheme |
- 118307-04-3
6-chloro-5-(2-chloroacetyl) indolin-2-one
A
- 884305-06-0
6-chloro-5-(2-chloro-1-hydroxyethyl) indolin-2-one
C
- 118289-55-7
6-chloro-5-(2-chloroethyl)-2-oxindole
| Conditions | Yield |
|---|---|
| With triethylsilane; aluminum (III) chloride In dichloromethane at 0 - 20℃; for 12h; Inert atmosphere; Reflux; |
- 118307-04-3
6-chloro-5-(2-chloroacetyl) indolin-2-one
B
- 118289-55-7
6-chloro-5-(2-chloroethyl)-2-oxindole
| Conditions | Yield |
|---|---|
| With aluminum (III) chloride; dimethylmonochlorosilane In dichloromethane at 0℃; Inert atmosphere; chemoselective reaction; |
5-Chloroethyl-6-chloro-1,3-dihydro-2H-indole-2-one Chemical Properties
Molecular Structure of 2H-Indol-2-one,6-chloro-5-(2-chloroethyl)-1,3-dihydro- (CAS NO.118289-55-7):
.png)
Empirical Formula: C10H9Cl2NO
Molecular Weight: 230.0906
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 29.1 Å2
Index of Refraction: 1.592
Molar Refractivity: 56.588 cm3
Molar Volume: 167.208 cm3
Surface Tension: 48.077 dyne/cm
Density: 1.376 g/cm3
Flash Point: 191.976 °C
Enthalpy of Vaporization: 64.376 kJ/mol
Boiling Point: 393.82 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Melting point: 218-221°C
Product Categories: Indole; Indoles; (intermediate of ziprasidone hcl); Intermediates of Ziprasidone
5-Chloroethyl-6-chloro-1,3-dihydro-2H-indole-2-one Safety Profile
Hazard Codes: 
N
Risk Statements: 50/53
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 60-61
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
5-Chloroethyl-6-chloro-1,3-dihydro-2H-indole-2-one Specification
2H-Indol-2-one,6-chloro-5-(2-chloroethyl)-1,3-dihydro- , with CAS number of 118289-55-7, can be called 2H-indole-2-one,5-chloroethyl-6-chloro-1,3-dihydro ; 5-chloroethyl-6-chloro-1,3-dihydro-1h-indol-2-one ; 5-chloroethyl-6-chloro-1,3-dihydro-2h-indole-2-one ; 6-chloro-5-(2-chloroethyl)-1,3-dihydro-2h-indol-2-one ; 5-(2-chloroethyl)-1,3-dihydro-2h-6-chloroindule-2-one ; 2h-indol-2-one-6-chloro-5-(2-chloroethyl)-1,3-dihydro ; 5-chloroethyl-6-chloro-1,3-dihydro-2h-indol-2-one ; 6-chloro-5-(2-chloroethyl)-1,3 .
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