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| CAS No.: | 80875-98-5 |
|---|---|
| Name: | L-Octahydroindole-2-carboxylic acid |
| Article Data: | 15 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H15NO2 |
| Molecular Weight: | 169.224 |
| Synonyms: | (2S,3AS,7aS)-2-carboxyoctahydroindole;(2S,3AS,7aS)-Octahydroindole-2-carboxylicacid;(2S,3aS,7aS)-perhydroindole-2-carboxylic acid;1H-Indole-2-carboxylicacid, octahydro-, [2S-(2a,3ab,7ab)]-; |
| EINECS: | 617-180-7 |
| Density: | 1.135 g/cm3 |
| Melting Point: | 275-277 °C |
| Boiling Point: | 318.6 °C at 760 mmHg |
| Flash Point: | 146.5 °C |
| Solubility: | Soluble in methanol and water. |
| Appearance: | White solid |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-37 |
| PSA: | 49.33000 |
| LogP: | 1.32050 |
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- (2S,3aS,7aS)-1-Benzoyl-octahydro-indole-2-carboxylic acid
- 80875-99-6
(2S,3aS,7aS)-1-Benzoyl-octahydro-indole-2-carboxylic acid
- 80875-98-5
(2S,3aS,7aS)-perhydroindole-2-carboxylic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water for 4h; Heating; | 87.8% |
- 539820-41-2
Benzyl (2S)-2,3,4,5,6,7-hexahydro-1H-indole-2-carboxylate
- 80875-98-5
(2S,3aS,7aS)-perhydroindole-2-carboxylic acid
| Conditions | Yield |
|---|---|
| With hydrogen; acetic acid; platinum on carbon at 20℃; under 3750.38 Torr; | 87% |
- 79815-20-6
(S)-indoline-2-carboxylic acid
- 80875-98-5
(2S,3aS,7aS)-perhydroindole-2-carboxylic acid
| Conditions | Yield |
|---|---|
| rhodium In 1,4-dioxane; methanol; water | 86.1% |
| With 8 % Pd/C; hydrogen In methanol at 55 - 65℃; under 37503.8 Torr; Autoclave; | 73.5% |
| With hydrogen; palladium on activated charcoal In acetic acid at 50℃; under 36775.4 Torr; for 18h; | 66% |
- 79815-20-6
(S)-indoline-2-carboxylic acid
A
- 80875-98-5
(2S,3aS,7aS)-perhydroindole-2-carboxylic acid
B
- 145513-90-2
(2S,3aR,7aR)-octahydroindole-2-carboxylic acid
| Conditions | Yield |
|---|---|
| With hydrogen; acetic acid; platinum(IV) oxide at 60℃; for 24h; atmospheric pressure; | A 85% B n/a |
| With platinum(IV) oxide; hydrogen at 60℃; optical yield given as %de; | A 85% B n/a |
- 82864-25-3
ethyl (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylate hydrochloride
- 80875-98-5
(2S,3aS,7aS)-perhydroindole-2-carboxylic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide In ethanol; water at 25℃; |
- 116795-46-1
(2S,3aS,7aS)-1-Acetyl-octahydro-indole-2-carboxylic acid tert-butyl ester
- 80875-98-5
(2S,3aS,7aS)-perhydroindole-2-carboxylic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 1521-51-3
rac-3-bromocyclohexene
- 80875-98-5
(2S,3aS,7aS)-perhydroindole-2-carboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 7 steps 1: 89 percent / K2CO3 / acetonitrile / 48 h / Ambient temperature 2: 97 percent / K2CO3 / acetone / 48 h / Ambient temperature 3: 90 percent / 2N NaOH / dimethylformamide / 48 h / Ambient temperature 5: tetrahydrofuran / 0.5 h / Ambient temperature; Irradiation 6: Raney nickel 7: 6N HCl View Scheme |
- 79854-42-5
Ethyl (S)-indoline-2-carboxylate hydrochloride
- 80875-98-5
(2S,3aS,7aS)-perhydroindole-2-carboxylic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hydrogen / Pd/C / ethanol 2: NaOH / H2O; ethanol / 25 °C View Scheme |
- 83508-14-9
benzyl (S)-(S)-(S)-perhydroindole-2-carboxylate
- 80875-98-5
(2S,3aS,7aS)-perhydroindole-2-carboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: benzyl (S)-(S)-(S)-perhydroindole-2-carboxylate With methanol; sodium hydroxide; water for 2h; Heating / reflux; Stage #2: With hydrogenchloride; water In methanol pH=6 - 7; |
- 89083-53-4
ethyl (2α, 3aβ, 7aβ)-octahydro-1H-indole-2-carboxylate
- 80875-98-5
(2S,3aS,7aS)-perhydroindole-2-carboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: ethyl (2α, 3aβ, 7aβ)-octahydro-1H-indole-2-carboxylate With sodium hydroxide; water at 30 - 35℃; for 5h; Stage #2: With hydrogenchloride In water pH=4.5 - 4.8; |
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Chemistry
Molecular Weight : 169.22
Synonyms :(2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic acid; L-2-carboxyoctahydroindole; (2S,3aS,7aS)-2-Carboxyperhydroindole
L-Octahydroindole-2-carboxylic acid ,it's mp is about 275-277°C.It is often White Solid.