Product Name

  • Name

    naphthalen-1-yl(1-pentyl-1H-pyrrol-3-yl)methanone

  • EINECS
  • CAS No. 162934-73-8
  • Article Data2
  • CAS DataBase
  • Density 1.055 g/cm3
  • Solubility
  • Melting Point
  • Formula C20H21NO
  • Boiling Point 455.4±18.0 °C(Predicted)
  • Molecular Weight 291.393
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 162934-73-8 (naphthalen-1-yl(1-pentyl-1H-pyrrol-3-yl)methanone)
  • Hazard Symbols
  • Synonyms naphthalen-1-yl(1-pentyl-1H-pyrrol-3-yl)methanone;1-Naphthalenyl(1-pentyl-1H-pyrrol-3-yl)-Methanone;JWH 030
  • PSA 22.00000
  • LogP 5.06250

Synthetic route

1-Bromopentane
110-53-2

1-Bromopentane

naphthalen-1-yl(1H-pyrrol-3-yl)methanone
162934-76-1

naphthalen-1-yl(1H-pyrrol-3-yl)methanone

JWH 030
162934-73-8

JWH 030

Conditions
ConditionsYield
With potassium hydride In dimethyl sulfoxide for 2h; Ambient temperature;59%
JWH 030
162934-73-8

JWH 030

A

2-bromo-4-(1-naphthoyl)-1-pentylpyrrole
914458-53-0

2-bromo-4-(1-naphthoyl)-1-pentylpyrrole

B

3-bromo-4-(1-naphthoyl)-1-pentylpyrrole

3-bromo-4-(1-naphthoyl)-1-pentylpyrrole

Conditions
ConditionsYield
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione In tetrahydrofuran at -78℃;A 70%
B n/a
JWH 030
162934-73-8

JWH 030

JWH-366

JWH-366

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-346

JWH-346

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-243

JWH-243

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: [Pd(PPh3)4]; Na2CO3 / toluene; ethanol; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-246

JWH-246

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: [Pd(PPh3)4]; Na2CO3 / toluene; ethanol; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-307

JWH-307

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-367

JWH-367

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-369

JWH-369

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-370

JWH-370

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-292

JWH-292

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-308

JWH-308

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-245

JWH-245

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: [Pd(PPh3)4]; Na2CO3 / toluene; ethanol; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-244

JWH-244

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: [Pd(PPh3)4]; Na2CO3 / toluene; ethanol; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-368

JWH-368

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-364

JWH-364

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-293

JWH-293

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-365

JWH-365

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-347

JWH-347

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-309

JWH-309

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-372

JWH-372

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-371

JWH-371

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-348

JWH-348

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-363

JWH-363

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: Pd(OAc)2; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme
JWH 030
162934-73-8

JWH 030

JWH-373

JWH-373

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 70 percent / 1,3-dibromo-5,5-dimethylhydantoin / tetrahydrofuran / -78 °C
2: 76 percent / (Ph3P)4Pd; tri(o-tolyl)phosphane; K2CO3 / (C4H9)4NBr / toluene; H2O / Heating
View Scheme

Methanone, 1-naphthalenyl(1-pentyl-1H-pyrrol-3-yl)- Specification

The Methanone, 1-naphthalenyl(1-pentyl-1H-pyrrol-3-yl)- has the CAS registry number 162934-73-8. This chemical's molecular formula is C20H21NO and molecular weight is 291.39. What's more, its systematic name is naphthalen-1-yl(1-pentyl-1H-pyrrol-3-yl)methanone.

Physical properties of Methanone, 1-naphthalenyl(1-pentyl-1H-pyrrol-3-yl)- are: (1)ACD/LogP: 5.73; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 22 Å2; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 91.695 cm3; (9)Molar Volume: 276.205 cm3; (10)Polarizability: 36.351×10-24cm3; (11)Surface Tension: 39.957 dyne/cm; (12)Density: 1.055 g/cm3; (13)Flash Point: 229.2 °C; (14)Enthalpy of Vaporization: 71.512 kJ/mol; (15)Boiling Point: 455.371 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccn(c1)CCCCC)c3c2ccccc2ccc3
(2)Std. InChI: InChI=1S/C20H21NO/c1-2-3-6-13-21-14-12-17(15-21)20(22)19-11-7-9-16-8-4-5-10-18(16)19/h4-5,7-12,14-15H,2-3,6,13H2,1H3
(3)Std. InChIKey: VPBJQDBKZSHCPC-UHFFFAOYSA-N

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