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Cas Database |
| Name |
Acetamide,N-1H-indol-5-yl- |
EINECS | 604-604-1 |
| CAS No. | 7145-71-3 | Density | 1.29g/cm3 |
| PSA | 44.89000 | LogP | 2.19930 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H10N2O | Boiling Point | 461.2 °C at 760 mmHg |
| Molecular Weight | 174.202 | Flash Point | 232.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Acetamide,N-indol-5-yl- (8CI);Indole, 5-acetamido- (7CI);5-(Acetylamino)-1H-indole;5-Acetylaminoindole;NSC 74979; |
Article Data | 6 |
Acetamide,N-1H-indol-5-yl- Synthetic route
- 14040-11-0
tungsten hexacarbonyl
- 6146-52-7
5-nitroindole
- 616-38-6
carbonic acid dimethyl ester
- 7145-71-3
N-(1H-indol-5-yl)acetamide
| Conditions | Yield |
|---|---|
| With di(rhodium)tetracarbonyl dichloride; 1,3-bis-(diphenylphosphino)propane; sodium phosphate; sodium iodide In water at 120℃; for 24h; Inert atmosphere; Sealed tube; | 92% |
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20℃; for 3h; | 85% |
| With triethylamine In dichloromethane at 20℃; for 3h; | 85% |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: palladium 10% on activated carbon; hydrogen / ethanol / 2.5 h / 1551.49 Torr 2: triethylamine / dichloromethane / 3 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: palladium 10% on activated carbon; hydrogen / ethanol / 2.5 h / 1551.49 Torr 2: triethylamine / dichloromethane / 3 h / 20 °C View Scheme |
- 7145-71-3
N-(1H-indol-5-yl)acetamide
- 1414941-83-5
N,N’-(2-(5-acetamido-1H-indol-3-yl)-3-oxo-2,3’-biindoline-5,5’-diyl)diacetamide
| Conditions | Yield |
|---|---|
| With 2,2,6,6-tetramethyl-piperidine-N-oxyl; benzoic acid In acetonitrile at 65℃; for 72h; | 93% |
| With 2,2,6,6-tetramethyl-piperidine-N-oxyl; benzoic acid; copper dichloride In acetonitrile at 60℃; for 6h; regioselective reaction; | 93% |
| With pyridine; methanesulfonic acid; sodium nitrite at 20℃; | 91% |
| Conditions | Yield |
|---|---|
| With sodium t-butanolate In N,N-dimethyl-formamide at -5℃; for 0.166667h; Schlenk technique; | 86% |
- 7145-71-3
N-(1H-indol-5-yl)acetamide
- 1448161-67-8
(E)-N,N'-(3-(hydroxyimino)-2,3'-bi(3H-indole)-5,5'-diyl)diacetamide
| Conditions | Yield |
|---|---|
| With sodium nitrite In pyridine at 20℃; for 10h; Green chemistry; regioselective reaction; | 85% |
| With iron(III) chloride hexahydrate; sodium nitrite In acetonitrile at 25℃; |
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol for 48h; Heating; | 56% |
- 7145-71-3
N-(1H-indol-5-yl)acetamide
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 91137-92-7
N-(3-formyl-1H-indol-5-yl)acetamide
| Conditions | Yield |
|---|---|
| Stage #1: N,N-dimethyl-formamide With trichlorophosphate for 0.333333h; Vilsmeier-Haack Formylation; Cooling with ice; Stage #2: N-(1H-indol-5-yl)acetamide at 20℃; for 1.5h; Vilsmeier-Haack Formylation; | 52% |
- 23133-37-1
1-propyl-4-piperidone
- 7145-71-3
N-(1H-indol-5-yl)acetamide
| Conditions | Yield |
|---|---|
| With sodium methylate In methanol for 48h; Heating; | 44% |
Acetamide,N-1H-indol-5-yl- Specification
The Acetamide,N-1H-indol-5-yl-, with CAS registry number 7145-71-3, has the systematic name of N-(1H-indol-5-yl)acetamide. Besides this, it is also called 5-Acetamidoindole. And the chemical formula of this chemical is C10H10N2O.
Physical properties of Acetamide,N-1H-indol-5-yl-: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 2.17; (6)ACD/BCF (pH 7.4): 2.17; (7)ACD/KOC (pH 5.5): 60.68; (8)ACD/KOC (pH 7.4): 60.7; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.24 Å2; (13)Index of Refraction: 1.711; (14)Molar Refractivity: 52.8 cm3; (15)Molar Volume: 134.9 cm3; (16)Polarizability: 20.93×10-24cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 232.7 °C; (20)Enthalpy of Vaporization: 72.21 kJ/mol; (21)Boiling Point: 461.2 °C at 760 mmHg; (22)Vapour Pressure: 1.09E-08 mmHg at 25°C.
Uses of Acetamide,N-1H-indol-5-yl-: it can be used to produce N-[3-(1-methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indol-5-yl]-acηmide. This reaction will need reagent NaOMe and solvent methanol. The reaction time is 48 hour(s). The yield is about 56%.
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You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cc2c(cc1)ncc2)C
(2)InChI: InChI=1/C10H10N2O/c1-7(13)12-9-2-3-10-8(6-9)4-5-11-10/h2-6,11H,1H3,(H,12,13)
(3)InChIKey: LEXRMCPBIULJNA-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C10H10N2O/c1-7(13)12-9-2-3-10-8(6-9)4-5-11-10/h2-6,11H,1H3,(H,12,13)
(5)Std. InChIKey: LEXRMCPBIULJNA-UHFFFAOYSA-N
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