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Name	2-(1-Methyl-2-oxopropyl)-1H-isoindole-1,3-(2H)-dione	EINECS	N/A
CAS No.	2028-33-3	Density	1.29 g/cm³
PSA	54.45000	LogP	1.19800
Solubility	N/A	Melting Point	85-86 °C
Formula	C₁₂H₁₁NO₃	Boiling Point	345.3 °C at 760 mmHg
Molecular Weight	217.224	Flash Point	154.2 °C
Transport Information	N/A	Appearance	white crystalline powder
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Phthalimide,N-(1-methylacetonyl)- (6CI,7CI,8CI);3-Phthalimido-2-butanone;	Article Data	16

2-(1-Methyl-2-oxopropyl)-1H-isoindole-1,3-(2H)-dione Synthetic route

: 1074-82-4
potassium phtalimide

: 814-75-5
3-bromo-butanone

: 2028-33-3
2-(1-methyl-2-oxo-propyl)-isoindole-1,3-dione

Conditions

Conditions	Yield
at 20℃; for 0.233333h; Ionic liquid;	96%
In N,N-dimethyl-formamide at 20℃;

: 4091-39-8
3-chloro-2-butanone

: 1074-82-4
potassium phtalimide

: 2028-33-3
2-(1-methyl-2-oxo-propyl)-isoindole-1,3-dione

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20 - 25℃; for 8h; Temperature;	95%
In N,N-dimethyl-formamide at 20℃;
In N,N-dimethyl-formamide at 20℃; for 3h;
In N,N-dimethyl-formamide at 20℃;

: 2-(2-hydroxy-1-methyl-propyl)-isoindole-1,3-dione

: 2028-33-3
2-(1-methyl-2-oxo-propyl)-isoindole-1,3-dione

Conditions

Conditions	Yield
With manganese(IV) oxide; [ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2; 2,6-Di-tert-butyl-1,4-benzoquinone In acetone at 65℃; for 17h; Temperature; Inert atmosphere;	80%

: 7065-05-6
2-(1-methylallyl)isoindole-1,3-dione

A: 2028-33-3
2-(1-methyl-2-oxo-propyl)-isoindole-1,3-dione

B: 4667-80-5
2-(1,3-dioxoisoindolin-2-yl)butan-4-al

Conditions

Conditions	Yield
With bis(benzonitrile)palladium(II) dichloride; silver(I) nitrite; copper(II) choride dihydrate; nitromethane; oxygen; tert-butyl alcohol at 20℃; under 760.051 Torr; for 6h; Wacker Oxidation;	A n/a B 79%

: 917-54-4
methyllithium

: 21860-84-4
2-phthalimidopropionic acid

: 2028-33-3
2-(1-methyl-2-oxo-propyl)-isoindole-1,3-dione

Conditions

Conditions	Yield
In tetrahydrofuran; diethyl ether at -70 - 20℃; for 1h; Temperature;	62%

: 3416-57-7
N-acetonylphthalimide

: 74-88-4
methyl iodide

: 2028-33-3
2-(1-methyl-2-oxo-propyl)-isoindole-1,3-dione

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium diisopropyl amide at 60℃; for 17h;

: 2028-33-3
2-(1-methyl-2-oxo-propyl)-isoindole-1,3-dione

: 21419-24-9
3-Amino-2-butanone hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride In acetic acid Heating;

: 2028-33-3
2-(1-methyl-2-oxo-propyl)-isoindole-1,3-dione

: 2-hydroxymethyl-N-(2-hydroxy-1-methylpropyl)-benzamide

Conditions

Conditions	Yield
With sodium borohydrid In aqueous propan-2-ol; water; acetic acid

: 2028-33-3
2-(1-methyl-2-oxo-propyl)-isoindole-1,3-dione

: 70386-38-8
D,L-1-bromo-3-phthalimido-2-butanone

Conditions

Conditions	Yield
With bromine In water; acetic acid at 20℃;
With bromine; acetic acid at 20℃;

: 2028-33-3
2-(1-methyl-2-oxo-propyl)-isoindole-1,3-dione

: 1240790-62-8
C21H16N4O2S

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: bromine; acetic acid / 20 °C 2.1: ethanol / 20 °C 2.2: Reflux 3.1: sodium hydrogencarbonate / ethanol / Reflux View Scheme

2-(1-Methyl-2-oxopropyl)-1H-isoindole-1,3-(2H)-dione Specification

The systematic name of 2-(1-Methyl-2-oxopropyl)-1H-isoindole-1,3-(2H)-dione is 2-(1-methyl-2-oxopropyl)-1H-isoindole-1,3(2H)-dione. With the CAS registry number 2028-33-3, it is also named as N-(1-Methyl-2-oxo-propyl)phthalimide. The product is white crystalline powder, which is used as intermediate of Ftibamzone. In addition, its molecular formula is C₁₂H₁₁NO₃ and its molecular weight is 217.22.

The other characteristics of 2-(1-Methyl-2-oxopropyl)-1H-isoindole-1,3-(2H)-dione can be summarized as: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 10.93; (6)ACD/BCF (pH 7.4): 10.93; (7)ACD/KOC (pH 5.5): 192.75; (8)ACD/KOC (pH 7.4): 192.75; (9)H bond acceptors: 4; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.45 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 56.16 cm³; (15)Molar Volume: 168.3 cm³; (16)Polarizability: 22.26×10^-24cm³; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.29 g/cm³; (19)Flash Point: 154.2 °C; (20)Melting Point: 85-86 °C; (21)Enthalpy of Vaporization: 58.94 kJ/mol; (22)Boiling Point: 345.3 °C at 760 mmHg; (23)Vapour Pressure: 6.21E-05 mmHg at 25 °C.

Production methods of 2-(1-Methyl-2-oxopropyl)-1H-isoindole-1,3-(2H)-dione: use Phthalimide reacting with Potassium hydroxide to get Phthalimide potassium salt, and then use the latter heating and condensation with 3 - Bromo D -2 ketone to get the product.

People can use the following data to convert to the molecule structure.
SMILES:CC(=O)C(C)N2C(=O)c1ccccc1C2=O
InChI:InChI=1/C12H11NO3/c1-7(8(2)14)13-11(15)9-5-3-4-6-10(9)12(13)16/h3-7H,1-2H3
InChIKey:NKPDEEQLUDNJPD-UHFFFAOYAO
Std. InChI:InChI=1S/C12H11NO3/c1-7(8(2)14)13-11(15)9-5-3-4-6-10(9)12(13)16/h3-7H,1-2H3
Std. InChIKey:NKPDEEQLUDNJPD-UHFFFAOYSA-N

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