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| CAS No.: | 162934-73-8 |
|---|---|
| Name: | naphthalen-1-yl(1-pentyl-1H-pyrrol-3-yl)methanone |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C20H21NO |
| Molecular Weight: | 291.393 |
| Synonyms: | naphthalen-1-yl(1-pentyl-1H-pyrrol-3-yl)methanone;1-Naphthalenyl(1-pentyl-1H-pyrrol-3-yl)-Methanone;JWH 030 |
| Density: | 1.055 g/cm3 |
| Boiling Point: | 455.4±18.0 °C(Predicted) |
| PSA: | 22.00000 |
| LogP: | 5.06250 |
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| Conditions | Yield |
|---|---|
| With potassium hydride In dimethyl sulfoxide for 2h; Ambient temperature; | 59% |
- 162934-73-8
JWH 030
A
- 914458-53-0
2-bromo-4-(1-naphthoyl)-1-pentylpyrrole
| Conditions | Yield |
|---|---|
| With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione In tetrahydrofuran at -78℃; | A 70% B n/a |
- 162934-73-8
JWH 030
| Conditions | Yield |
|---|---|
| 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 |
- 162934-73-8
JWH 030
| Conditions | Yield |
|---|---|
| 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 |
- 162934-73-8
JWH 030
| Conditions | Yield |
|---|---|
| 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 |
- 162934-73-8
JWH 030
| Conditions | Yield |
|---|---|
| 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 |
- 162934-73-8
JWH 030
| Conditions | Yield |
|---|---|
| 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 |
- 162934-73-8
JWH 030
| Conditions | Yield |
|---|---|
| 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 |
- 162934-73-8
JWH 030
| Conditions | Yield |
|---|---|
| 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 |
- 162934-73-8
JWH 030
| Conditions | Yield |
|---|---|
| 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 |
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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