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| CAS No.: | 59529-21-4 |
|---|---|
| Name: | 1-pentyl-1H-indole |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C13H17N |
| Molecular Weight: | 187.285 |
| Synonyms: | 1-Pentyl-1H-indole; |
| Density: | 0.96 g/cm3 |
| Boiling Point: | 302.2 °C at 760 mmHg |
| Flash Point: | 136.6 °C |
| PSA: | 4.93000 |
| LogP: | 3.83150 |
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| Stage #1: indole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.5h; Stage #2: 1-Bromopentane In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; | 100% |
| Stage #1: indole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 5 - 20℃; Inert atmosphere; Stage #2: 1-Bromopentane In N,N-dimethyl-formamide; mineral oil at 5 - 20℃; for 16h; Inert atmosphere; | 95% |
| With potassium hydroxide; tetrabutylammomium bromide; potassium carbonate for 0.0075h; microwave irradiation (300 W); | 86% |
- 59529-21-4
1-pentyl-1H-indole
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride In toluene for 5.5h; Heating; | 92% |
| Conditions | Yield |
|---|---|
| With chloro-(pentamethylcyclopentadienyl)-{5-methoxy-2-{1-[(4-methoxyphenyl)imino-N]ethyl}phenyl-C}-iridium(lll); potassium carbonate In 2,2,2-trifluoroethanol at 100℃; for 12h; | 77% |
| Conditions | Yield |
|---|---|
| With triethylamine In acetonitrile at 80℃; for 16h; | 75% |
- 693-03-8
n-butyl magnesium bromide
- 124337-33-3
1-(1H-benzotriazol-1-yl-methyl)-1H-indole
- 59529-21-4
1-pentyl-1H-indole
| Conditions | Yield |
|---|---|
| In benzene for 25h; Heating; | 37% |
- 169891-05-8
1-(5-Iodopentyl)-2-(phenylsulfanyl)-1H-indole
A
- 59529-21-4
1-pentyl-1H-indole
| Conditions | Yield |
|---|---|
| With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In toluene for 4h; Yield given. Yields of byproduct given; |
- 59529-21-4
1-pentyl-1H-indole
- 6011-14-9
2-aminoacetonitrile hydrochloride
| Conditions | Yield |
|---|---|
| Stage #1: 2-aminoacetonitrile hydrochloride With sodium nitrite In water at 55℃; Stage #2: 1-pentyl-1H-indole With meso-tetraphenylporphyrin iron(III) chloride In dichloromethane; water at 20℃; for 2.16h; Inert atmosphere; | 96% |
- 59529-21-4
1-pentyl-1H-indole
- 13652-07-8
phenyltrifluorodiazoethane
| Conditions | Yield |
|---|---|
| With o-phenylenebis(diphenylphosphine); palladium diacetate; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate In dichloromethane at 20℃; | 94% |
- 59529-21-4
1-pentyl-1H-indole
- 144008-12-8
ethyl 3,3,3-trifluoro-2-((4-methoxyphenyl)imino)propanoate
| Conditions | Yield |
|---|---|
| With copper(II) trifluoroacetate In dichloromethane at 25℃; for 12h; Friedel-Crafts Alkylation; | 93% |
- 59529-21-4
1-pentyl-1H-indole
| Conditions | Yield |
|---|---|
| With silica-gel-supported sulfuric acid In acetonitrile at 80℃; for 2h; | 89% |
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Specification
The chemical with CAS registry number of 59529-21-4 is also known as 1H-Indole, 1-pentyl-. The systematic name is 1-Pentyl-1H-indole. In addition, the formula is C13H17N and the molecular weight is 187.28.
Physical properties about 1H-Indole, 1-pentyl- are: (1)ACD/LogP: 4.67; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 4.93Å2; (7)Index of Refraction: 1.54; (8)Molar Refractivity: 61.12 cm3; (9)Molar Volume: 194.7 cm3; (10)Polarizability: 24.23×10-24cm3; (11)Surface Tension: 34.9 dyne/cm; (12)Density: 0.96 g/cm3; (13)Flash Point: 136.6 °C; (14)Enthalpy of Vaporization: 52.07 kJ/mol; (15)Boiling Point: 302.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0018 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: c1cccc2c1ccn2CCCCC
2. InChI: InChI=1/C13H17N/c1-2-3-6-10-14-11-9-12-7-4-5-8-13(12)14/h4-5,7-9,11H,2-3,6,10H2,1H3
3. InChIKey: QWLCOOAYMQWDPR-UHFFFAOYAL
4. Std. InChI: InChI=1S/C13H17N/c1-2-3-6-10-14-11-9-12-7-4-5-8-13(12)14/h4-5,7-9,11H,2-3,6,10H2,1H3
5. Std. InChIKey: QWLCOOAYMQWDPR-UHFFFAOYSA-N