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Basic Information
| CAS No.: | 80109-27-9 |
|---|---|
| Name: | Ciladopa |
| Article Data: | 1 |
| Molecular Structure: | |
|
|
|
| Formula: | C21H26 N2 O4 |
| Molecular Weight: | 370.448 |
| Synonyms: | 2,4,6-Cycloheptatrien-1-one,2-[4-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-piperazinyl]-, (S)-; AY 27110;Ciladopa |
| Density: | 1.213g/cm3 |
| Melting Point: | 122-124 °C(Solv: chloroform (67-66-3); hexane (110-54-3)) |
| Boiling Point: | 571.6°C at 760 mmHg |
| Flash Point: | 299.5°C |
| PSA: | 62.24000 |
| LogP: | 1.92250 |
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Synthetic route
- 80101-33-3
2-{4-[2-(3,4-Dimethoxy-phenyl)-2-hydroxy-ethyl]-piperazin-1-yl}-cyclohepta-2,4,6-trienone
A
- 80109-27-9
AY 27110
B
- 80109-26-8
AY 27109
Conditions
| Conditions | Yield |
|---|---|
| A 0.95 g B 1.1 g |
- 1835-02-5
2-Bromo-1-(3,4-dimethoxyphenyl)ethanone
- 80109-27-9
AY 27110
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 1.) K2CO3 / 1.) CH3CN, 80 deg C, 30 min, 2.) CH3CN, reflux, 25 h 2: sodium borohydride / methanol / 0.5 h 3: 0.95 g View Scheme |
- 80101-29-7
2-{4-[2-(3,4-Dimethoxy-phenyl)-2-oxo-ethyl]-piperazin-1-yl}-cyclohepta-2,4,6-trienone
- 80109-27-9
AY 27110
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium borohydride / methanol / 0.5 h 2: 0.95 g View Scheme |
- 80100-70-5
2-(1-piperazinyl)-2,4,6-cycloheptatrien-1-one methanesulfonic acid salt
- 80109-27-9
AY 27110
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 1.) K2CO3 / 1.) CH3CN, 80 deg C, 30 min, 2.) CH3CN, reflux, 25 h 2: sodium borohydride / methanol / 0.5 h 3: 0.95 g View Scheme |
- 80109-27-9
AY 27110
- 586-75-4
4-chlorobenzoyl chloride
- 83473-97-6
(-)4-bromobenzoic acid, 1-(3,4-dimethoxyphenyl)-2-<4-(7-oxo-1,3,5-cycloheptatrien-1-yl)-1-piperazinyl>ethyl ester
Conditions
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane for 3.5h; Ambient temperature; | 69.8% |
- Total:4 Page 1 of 1 1
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Ciladopa
