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ChemicalBook--->CAS DataBase List--->22509-74-6

22509-74-6

22509-74-6 Structure

22509-74-6 Structure
IdentificationMore
[Name]

N-Carbethoxyphthalimide
[CAS]

22509-74-6
[Synonyms]

1,3-DIOXO-1,3-DIHYDRO-ISOINDOLE-2-CARBOXYLIC ACID ETHYL ESTER
1,3-DIOXO-2-ISOINDOLINECARBOXYLIC ACID ETHYL ESTER
CARBETHOXYPHTHALIMIDE
CPI
ECPT
ETHYL 1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOLE-2-CARBOXYLATE
ETHYL 1,3-DIOXO-2-ISOINDOLINECARBOXYLATE
ETHYL 1,3-DIOXOISOINDOLINE-2-CARBOXYLATE
LABOTEST-BB LT00451715
N-CARBETHOXYPHTHALIMIDE
N-CARBOETHOXYPHTHALIMIDE
NEFKEN'S REAGENT
NEFKENS' REAGENT
N-ETHOXYCARBONYLPHTHALIMIDE
PHTHALIMIDE-N-CARBOXYLIC ACID ETHYL ESTER
TIMTEC-BB SBB007660
1,3-dihydro-1,3-dioxo-2h-isoindole-2-carboxylicaciethylester
1,3-dioxo-2-isoindolinecarboxylicaciethylester
2-Isoindolinecarboxylic acid, 1,3-dioxo-, ethyl ester
Ethyl 1,3-dioxo-1,3-dihydro-2H-isoindole-2-carboxylate
[EINECS(EC#)]

245-048-5
[Molecular Formula]

C11H9NO4
[MDL Number]

MFCD00005893
[Molecular Weight]

219.19
[MOL File]

22509-74-6.mol
Chemical PropertiesBack Directory
[Appearance]

White crystalline powder
[Melting point ]

90-92 °C(lit.)
[Boiling point ]

360°C (rough estimate)
[density ]

1.3219 (rough estimate)
[vapor pressure ]

0.003-0.006Pa at 20-25℃
[refractive index ]

1.4950 (estimate)
[storage temp. ]

0-6°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Crystalline Powder
[pka]

-3.02±0.20(Predicted)
[color ]

White
[Water Solubility ]

insoluble
[BRN ]

196340
[InChIKey]

VRHAQNTWKSVEEC-UHFFFAOYSA-N
[LogP]

1.1 at 20℃ and pH6.6-6.9
[CAS DataBase Reference]

22509-74-6(CAS DataBase Reference)
[NIST Chemistry Reference]

2H-isoindole-2-carboxylic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester(22509-74-6)
[EPA Substance Registry System]

2H-Isoindole-2-carboxylic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester (22509-74-6)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

NR3459500
[F ]

10
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29251995
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethyl chloroformate-->1H-Isoindol-1-one, 3-hydroxy--->Potassium phthalimide
[Preparation Products]

Methyl 7-amino-3-methyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylate-->NISTC29588838-->(R)-(+)-THALIDOMIDE-->4-(Phthalimide)cyclohexanol-->PHTHALOYL-L-GLUTAMIC ANHYDRIDE-->4-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)BUTANOIC ACID-->PHT-ALA-OH-->N-PROPARGYLPHTHALIMIDE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethyl phthalimidocarboxylate(22509-74-6).msds
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder
[Uses]

N-Carbethoxyphthalimide is used in the synthetic preparation of a novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
[Preparation]

N-Carbethoxyphthalimide is prepared for: addition of Ethyl Chloroformate to a cold solution of Phthalimide and Triethylamine in DMF; alkylation of potassium phthalimide with ethyl chloroformate.
[storage]

No special handling conditions or precautions are required.
[Purification Methods]

Crystallise the imide from toluene/pet ether (or *benzene/pet ether). It is partly soluble in Et2O, *benzene and CHCl3. [Heller & Jacobsohn Chem Ber 54 1112 1921, Beilstein 21/10 V 428.]
Spectrum DetailBack Directory
[Spectrum Detail]

N-Carbethoxyphthalimide(22509-74-6)MS
N-Carbethoxyphthalimide(22509-74-6)1HNMR
N-Carbethoxyphthalimide(22509-74-6)13CNMR
N-Carbethoxyphthalimide(22509-74-6)IR1
N-Carbethoxyphthalimide(22509-74-6)IR2
N-Carbethoxyphthalimide(22509-74-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N-Carbethoxyphthalimide, 99+%(22509-74-6)
[Alfa Aesar]

N-(Ethoxycarbonyl)phthalimide, 97%(22509-74-6)
[Sigma Aldrich]

22509-74-6(sigmaaldrich)
[TCI AMERICA]

N-Ethoxycarbonylphthalimide  [for Peptide Synthesis],>98.0%(N)(22509-74-6)
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