N-(2-Bromoethyl)phthalimide CAS#：574-98-1; 凯望编码 (ChemWhat Code): 1411447

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名N-(2-Bromoethyl)phthalimide
IUPAC Name2-(2-bromoethyl)isoindole-1,3-dione  
分子结构structure of N-(2-Bromoethyl)phthalimide CAS 574-98-1
CAS编号 574-98-1
EINECS Number209-379-9
MDL NumberMFCD00005902
Beilstein Registry Number148736
别名N-(2-BROMOETHYL)PHTHALIMIDE
574-98-1
2-(2-bromoethyl)isoindoline-1,3-dione
1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-
2-(2-Bromoethyl)-1H-isoindole-1,3(2H)-dione
2-(2-bromoethyl)isoindole-1,3-dione
2-(Bromoethyl)phthalimide
1-Bromo-2-phthalimidoethane
beta-Phthalimidoethyl bromide
MFCD00005902
Phthalimide, N-(2-bromoethyl)-
NSC 2688
2-Phthalimidoethyl bromide
n(2-bromoethyl)phthalimide
.beta.-Bromoethylphthalimide
2-(2-Bromo-ethyl)-isoindole-1,3-dione
N-(2-bromoethyl) phthalimide
.beta.-Phthalimidoethyl bromide
N-(2-Bromoethyl-d4)phthalimide
2-(2-bromoethyl)-2,3-dihydro-1H-isoindole-1,3-dione
2-(2-bromoethyl)-isoindole-1,3-dione
beta-Bromoethylphthalimide
2-(2-Bromoethyl)-1H-isoindole-1,3(2H)-dione; 1-Bromo-2-phthalimidoethane; 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-ethyl bromide; 2-(2-Bromoethyl)-2,3-dihydro-1H-isoindole-1,3-dione
N-2-Bromoethylphthalimide
N-(2-Bromoethyl)-phthalimide
EINECS 209-379-9
N-Bromoethylphthalimide
phthalimidoethyl bromide
2-(2-bromoethyl)-1H-isoindole-1,3-dione
N-(bromoethyl)phthalimide
2-(2-bromoethyl)benzo[c]azoline-1,3-dione
N-(bromoethyl)-phthalimide
n(2-bromoethyl) phthalimide
N-(2-Bromoethyl)phthalimid
SCHEMBL53287
2-(2-Bromoethyl)phthalimide
N-beta-Bromoethyl-phthalimide
N-(2-Bromoethyl)-phthalimid
N-(2- bromoethyl)phthalimide
N-(2-bromo-ethyl)phthalimide
N-(Beta-bromoethyl)phthalimide
CHEMBL595355
N-(2-bromo ethyl)-phthalimide
N-(2-bromo-ethyl)-phthalimide
N-[2-(bromo)ethyl]phthalimide
DTXSID0060357
NSC2688
N-(.beta.-Bromoethyl)phthalimide
ALBB-017759
NSC-2688
N-(2-Bromoethyl)phthalimide, 95%
AC-165
STK291118
AKOS000119699
1H-Isoindole-1, 2-(2-bromoethyl)-
CS-W008910
2-(2-Bromo-ethyl)isoindole-1,3-dione
2-(2-bromoethyl) isoindoline-1,3-dione
AM808252
AS-11033
BP-13404
SY002569
DB-002815
B0597
FT-0629110
EN300-17894
1H-Isoindole-1,3(2H)-dione,2-(2-bromoethyl)-
A831470
AE-641/00791032
2-(2-Bromoethyl)-1H-isoindole-1,3(2H)-dione #
Q-201420
Z57069240
F3380-0002
分子式C10H8BrNO2
分子量254.08
InChIInChI=1S/C10H8BrNO2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,5-6H2
InChI KeyCHZXTOCAICMPQR-UHFFFAOYSA-N  
Canonical SMILESC1=CC(=CN=C1)N
Patent Information
Patent IDTitlePublication Date
 CN104447498A phthalimide derivative and its preparation method and application2017
 CN103373951Lapatinib process for the preparation of intermediates2016
US2013/195879OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY2013
EP1741709Heteroaryl-substituted amides comprising a saturated linker group, and their use as pharmaceuticals2007

Physical Data

AppearanceOff white crystalline powder
Melting Point, °C Solvent (Melting Point)
83ethanol
80 – 83
81 – 84
85
151.3 – 152.5
80 – 83
Boiling Point, °CPressure (Boiling Point), Torr
1676
1788
18610
20820
318

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHz
Chemical shifts, Spectrum1Hchloroform-d1500
Chemical shifts13Cchloroform-d1126
Chemical shifts, Spectrum1Hdimethylsulfoxide-d6300
Chemical shifts, Spectrum13Cdimethylsulfoxide-d675
Chemical shifts1Hchloroform-d1400
Chemical shifts13Cchloroform-d1100
N-(2-Bromoethyl)phthalimide CAS#：574-98-1
Description (IR Spectroscopy)Solvent (IR Spectroscopy)Temperature (IR Spectroscopy), °C
Bandspotassium bromide
Reflection spectrum, Bands
Intensity of IR bands, Bands, Spectrumpotassium bromide
in KBr
BandsKBr
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Comment (UV/VIS Spectroscopy)
Spectrumaq. buffer
SpectrumCHCl3245 – 340 nm

Route of Synthesis (ROS)

Route of Synthesis (ROS) of N-(2-Bromoethyl)phthalimide CAS 574-98-1

ConditionsYield
With sodium azide; potassium iodide In water; acetone at 20℃; for 60h; Inert atmosphere;92%
With sodium azide In N,N-dimethyl-formamide at 20℃; for 12h;91%
With sodium azide In N,N-dimethyl-formamide for 18h; Inert atmosphere; Reflux;90%
Experimental Procedure
A mixture of 2.6 g of N-(2-bromoethyl)phthalimide (3,10.2 mmol), 0.87 g of NaN3 (13.4 mmol), in 30 mL of dry DMF was refluxed for 18 h under argon. The mixture was evaporated to dryness; the residue was dissolved in 50 mL of dichloromethane and washed subsequently with 2×50 mL of water, 50 mL of brine, dried over MgSO4, filtered, concentrated and dried under vacuum to give pure compound 5 (2.12 g, 90%) as pearly white solid.1H NMR (CDCl3, 300 MHz, 25 °C) δ=7.85 (m, 2H, Ar-H), 7.70 (m, 2H, Ar-H), 3.88 (t, J=6 Hz, 2H, CH2), 3.56 (t, J=6 Hz, 2H, CH2).13C NMR (CDCl3, 75 MHz, 25 °C) δ=168.4 (ArC), 134.6 (ArCH), 132.2 (ArC), 123.8 (ArCH), 49.3 (CH2), 37.2 (CH2).

Safety and Hazards

No data available

Other Data

TransportationStore in room temperature for long time; Protect from light.
Store in room temperature for long time; Protect from light.
HS Code
StorageStore in room temperature for long time; Protect from light.
Shelf Life1 year
Market Price
Druglikeness
Lipinski rules component
分子量254.083
logP2.237
HBA3
HBD0
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)37.38
Rotatable Bond (RotB)2
Matching Veber Rules2
Bioactivity
In vitro: Efficacy
Quantitative Results
Quantitative Results
1 of 79Comment (Pharmacological Data)Bioactivities present
ReferenceNOVEL ISOQUINOLINE DERIVATIVES OR SALTS THEREOF
2 of 79Comment (Pharmacological Data)Bioactivities present
ReferenceFUROISOQUINOLINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF
3 of 79Comment (Pharmacological Data)Bioactivities present
ReferenceDELTA-AMINO-GAMMA-HYDROXY-OMEGA-ARYL-ALKANOIC ACID AMIDES
4 of 79Comment (Pharmacological Data)Bioactivities present
ReferenceNovel thiourea derivatives and the pharmaceutical compositions containing the same
5 of 79Comment (Pharmacological Data)Bioactivities present
ReferenceINSULIN DERIVATIVES CONJUGATED WITH STRUCTURALLY WELL DEFINED BRANCHED POLYMERS
6 of 79Comment (Pharmacological Data)Bioactivities present
Reference
7 of 79Biological materialBioactivities present
Reference
8 of 79Comment (Pharmacological Data)Bioactivities present
Reference
9 of 79Comment (Pharmacological Data)Bioactivities present
Reference
10 of 79Comment (Pharmacological Data)Bioactivities present
Use Pattern
N-(2-Bromoethyl)phthalimide CAS#：574-98-1 is used in Pharmaceutical Intermediates,N-Substituted Maleimides, Succinimides

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