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1H-Indole, 1-pentyl-
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Name

1H-Indole, 1-pentyl-

 EINECS N/A
CAS No. 59529-21-4 Density 0.96 g/cm3
PSA 4.93000 LogP 3.83150
Solubility N/A Melting Point N/A
Formula C13H17N Boiling Point 302.2 °C at 760 mmHg
Molecular Weight 187.285 Flash Point 136.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 59529-21-4 (1-pentyl-1H-indole) Hazard Symbols N/A
Synonyms

1-Pentyl-1H-indole;

Article Data 14

1H-Indole, 1-pentyl- Synthetic route

120-72-9

indole

110-53-2

1-Bromopentane

59529-21-4

1-pentyl-1H-indole

Conditions
ConditionsYield
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%

N-<1-(benzotriazol-1-yl)pentyl>indole

59529-21-4

1-pentyl-1H-indole

Conditions
ConditionsYield
With lithium aluminium tetrahydride In toluene for 5.5h; Heating;92%
496-15-1

1-indoline

71-41-0

pentan-1-ol

59529-21-4

1-pentyl-1H-indole

Conditions
ConditionsYield
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%
120-72-9

indole

628-17-1

amyl iodide

59529-21-4

1-pentyl-1H-indole

Conditions
ConditionsYield
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
ConditionsYield
In benzene for 25h; Heating;37%
169891-05-8

1-(5-Iodopentyl)-2-(phenylsulfanyl)-1H-indole

A

59529-21-4

1-pentyl-1H-indole

B

1-Pentyl-2-phenylsulfanyl-1H-indole

Conditions
ConditionsYield
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

2-(1-pentyl-1H-indol-3-yl)acetonitrile

Conditions
ConditionsYield
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

3-(2,2-difluoro-1-phenylvinyl)-1-pentyl-1H-indole

Conditions
ConditionsYield
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

ethyl 2-amino-3,3,3-trifluoro-2-(1-pentyl-1H-indol-3-yl)propanoate

Conditions
ConditionsYield
With copper(II) trifluoroacetate In dichloromethane at 25℃; for 12h; Friedel-Crafts Alkylation;93%
59529-21-4

1-pentyl-1H-indole

3-hydroxy-2-(hydroxy(phenyl)methyl)-6-(hydroxymethyl)- 4H-pyran-4-one

5-hydroxy-2-(hydroxymethyl)-3-((1-pentyl-1H-indol-3-yl)(phenyl)methyl)-4H-pyran-4-one

Conditions
ConditionsYield
With silica-gel-supported sulfuric acid In acetonitrile at 80℃; for 2h;89%

1H-Indole, 1-pentyl- 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

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