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Cas Database |
| Name |
N-Butylphthalimide |
EINECS | 216-157-5 |
| CAS No. | 1515-72-6 | Density | 1.173 g/cm3 |
| PSA | 37.38000 | LogP | 2.02060 |
| Solubility | N/A | Melting Point |
29-33 °C |
| Formula | C12H13NO2 | Boiling Point | 309.9 °C at 760 mmHg |
| Molecular Weight | 203.241 | Flash Point | 130.8 °C |
| Transport Information | N/A | Appearance | slight yellow liquid |
| Safety | 24/25 | Risk Codes | 36 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
Phthalimide,N-butyl- (6CI,7CI,8CI);2-Butyl-1H-isoindole-1,3(2H)-dione;Levegal EAP 4;N-n-Butylphthalimide; |
Article Data | 68 |
N-Butylphthalimide Synthetic route
| Conditions | Yield |
|---|---|
| for 0.0333333h; microwave irradiation; | 100% |
| In decaethylene glycol at 120℃; for 6h; | 98% |
| In water at 90 - 180℃; for 0.8h; Inert atmosphere; | 96.2% |
- 201230-82-2
carbon monoxide
- 610-97-9
o-iodo-methyl-benzoic acid
- 109-73-9
N-butylamine
- 1515-72-6
N-butylphthalimide
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 100℃; under 760.051 Torr; for 1h; Schlenk technique; | 100% |
| With triethylamine In toluene at 100℃; | 79% |
| Conditions | Yield |
|---|---|
| With caesium carbonate In N,N-dimethyl-formamide at 70℃; for 0.166667h; Microwave irradiation; | 99% |
| With potassium carbonate In N,N-dimethyl-formamide at 40℃; for 18h; Inert atmosphere; | 98% |
| With potassium hydroxide; 1-butyl-3-methylimidazolium Tetrafluoroborate at 80℃; for 5h; | 94% |
- 52898-32-5
N-(3-butenyl)phthalimide
- 1515-72-6
N-butylphthalimide
| Conditions | Yield |
|---|---|
| With Pd/C; C24H16N2O4 In ethanol at 50℃; for 18h; Glovebox; | 99% |
| Conditions | Yield |
|---|---|
| With 1,4-diaza-bicyclo[2.2.2]octane; palladium 10% on activated carbon In toluene at 120℃; under 4654.46 Torr; for 2h; Autoclave; | 98% |
| With potassium carbonate In N,N-dimethyl-formamide at 100℃; under 760.051 Torr; for 4h; Schlenk technique; | 91% |
| Conditions | Yield |
|---|---|
| With potassium dihydrogenphosphate; Cp*Rh(MeCN)3[ClO4]2; silver carbonate In tert-Amyl alcohol at 100℃; under 760.051 Torr; for 24h; | 92% |
| Conditions | Yield |
|---|---|
| With triethylamine In toluene at 100℃; for 4h; | 91% |
| Conditions | Yield |
|---|---|
| [2.2.2]cryptande In tetrahydrofuran for 0.166667h; | 90% |
| In N,N-dimethyl-formamide at 55℃; | 75% |
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 120℃; for 2h; | 90% |
| In N,N-dimethyl-formamide at 55℃; | 45% |
| Conditions | Yield |
|---|---|
| [2.2.2]cryptande In tetrahydrofuran for 0.666667h; | 90% |
| In N,N-dimethyl-formamide at 70℃; for 2h; Gabriel Amine Synthesis; | 28% |
N-Butylphthalimide Specification
The IUPAC name of N-Butylphthalimide is 2-butylisoindole-1,3-dione. With the CAS registry number 1515-72-6, it is also named as 1-Phthalimidobutane. The product's categories are N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Phthalimides; Derivatives of Phthalimide. Besides, it is slight yellow liquid, which should be stored in tightly sealed containers in a cool, dry place. And you should ensure that the workplaces have good ventilation or exhaust devices. When you are using this chemical, please avoid contact with skin and eyes. In addition, its molecular formula is C12H13NO2 and molecular weight is 203.24.
The other characteristics of this product can be summarized as: (1)EINECS: 216-157-5; (2)ACD/LogP: 3.15; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.15; (5)ACD/LogD (pH 7.4): 3.15; (6)ACD/BCF (pH 5.5): 145.86; (7)ACD/BCF (pH 7.4): 145.86; (8)ACD/KOC (pH 5.5): 1231.85; (9)ACD/KOC (pH 7.4): 1231.85; (10)#H bond acceptors: 3; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 3; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 56.23 cm3; (15)Molar Volume: 173.1 cm3; (16)Surface Tension: 45.3 dyne/cm; (17)Density: 1.173 g/cm3; (18)Flash Point: 130.8 °C; (19)Melting point: 29-33 °C; (20)Enthalpy of Vaporization: 55.06 kJ/mol; (21)Boiling Point: 309.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000623 mmHg at 25 °C.
Preparation of N-Butylphthalimide: this chemical can be prepared by the reaction of Phthalimide with 1-Bromo-butane.
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This reaction needs K2CO3, Methyl methyltrioctylammonium sulfate and Toluene at temperature of 100 °C. The reaction time is 4.5 hours. The yield is 80 %.
Uses of N-Butylphthalimide: it can react with Morpholine to get N-Butyl-2-(morpholine-4-carbonyl)-benzamide.
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This reaction needs Benzene at ambient temperature. The yield is 75 %.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCCCN1C(=O)C2=CC=CC=C2C1=O
(2)InChI: InChI=1S/C12H13NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3
(3)InChIKey: DLKDEVCJRCPTLN-UHFFFAOYSA-N
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