CAS No.1515-72-6,N-Butylphthalimide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1515-72-6
Name:	N-Butylphthalimide
Article Data:	68

Formula:	C₁₂H₁₃NO₂
Molecular Weight:	203.241
Synonyms:	Phthalimide,N-butyl- (6CI,7CI,8CI);2-Butyl-1H-isoindole-1,3(2H)-dione;Levegal EAP 4;N-n-Butylphthalimide;
EINECS:	216-157-5
Density:	1.173 g/cm³
Melting Point:	29-33 °C
Boiling Point:	309.9 °C at 760 mmHg
Flash Point:	130.8 °C
Appearance:	slight yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36
Safety:	24/25
PSA:	37.38000
LogP:	2.02060

Synthetic route

: 85-44-9
phthalic anhydride

: 109-73-9
N-butylamine

: 1515-72-6
N-butylphthalimide

Conditions

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

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%

...Expand

: 109-65-9
1-bromo-butane

: 136918-14-4
phthalimide

: 1515-72-6
N-butylphthalimide

Conditions

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

Conditions	Yield
With Pd/C; C24H16N2O4 In ethanol at 50℃; for 18h; Glovebox;	99%

: 615-42-9
1,2-Diiodobenzene

: 201230-82-2
carbon monoxide

: 109-73-9
N-butylamine

: 1515-72-6
N-butylphthalimide

Conditions

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%

...Expand

: 201230-82-2
carbon monoxide

: 2782-40-3
N-butylbenzamide

: 1515-72-6
N-butylphthalimide

Conditions

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%

: 88-67-5
2-Iodobenzoic acid

: 201230-82-2
carbon monoxide

: 109-73-9
N-butylamine

: 1515-72-6
N-butylphthalimide

Conditions

Conditions	Yield
With triethylamine In toluene at 100℃; for 4h;	91%

...Expand

: 109-65-9
1-bromo-butane

: 1074-82-4
potassium phtalimide

: 1515-72-6
N-butylphthalimide

Conditions

Conditions	Yield
[2.2.2]cryptande In tetrahydrofuran for 0.166667h;	90%
In N,N-dimethyl-formamide at 55℃;	75%

: 542-69-8
1-iodo-butane

: 1074-82-4
potassium phtalimide

: 1515-72-6
N-butylphthalimide

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 120℃; for 2h;	90%
In N,N-dimethyl-formamide at 55℃;	45%

: 109-69-3
n-Butyl chloride

: 1074-82-4
potassium phtalimide

: 1515-72-6
N-butylphthalimide

Conditions

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%

Raw Materials

109-65-9

118-29-6

778-28-9

111-36-4

524-38-9

91-15-6

583-53-9

80991-83-9

Downstream Products

109-73-9

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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.

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.

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