| Identification | More | [Name]
PHTHALIMIDOACETALDEHYDE DIETHYL ACETAL | [CAS]
78902-09-7 | [Synonyms]
2-PHTHALIMIDOACETALDEHYDE DIETHYL ACETAL
LABOTEST-BB LT00454122
N-(2,2-DIETHOXYETHYL)PHTHALIMIDE
PHTHALIMIDOACETALDEHYDE DIETHYL ACETAL
2-(Phthalimido)acetaldehyde diethylacetal 98%
phthalimido-acetaldehyde hydrate
2-Phthalimidylacetaldehyde diethyl acetal | [Molecular Formula]
C14H17NO4 | [MDL Number]
MFCD00005901 | [Molecular Weight]
263.29 | [MOL File]
78902-09-7.mol |
| Chemical Properties | Back Directory | [Appearance]
off-white to white powder | [Melting point ]
72-74 °C (lit.) | [Boiling point ]
372.3±32.0 °C(Predicted) | [density ]
1.200±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
-2.17±0.20(Predicted) | [color ]
Light yellow to Yellow to Orange | [Water Solubility ]
Insoluble in water. | [Sensitive ]
Moisture Sensitive | [BRN ]
215793 | [InChI]
1S/C14H17NO4/c1-3-18-12(19-4-2)9-15-13(16)10-7-5-6-8-11(10)14(15)17/h5-8,12H,3-4,9H2,1-2H3 | [InChIKey]
GEFXJJJQUSEHLV-UHFFFAOYSA-N | [SMILES]
CCOC(CN1C(=O)c2ccccc2C1=O)OCC | [CAS DataBase Reference]
78902-09-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HS Code ]
29126000 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
off-white to white powder | [Uses]
Phthalimidoacetaldehyde diethyl acetal is used as a pharmaceutical intermediate. | [Synthesis]
The general procedure for the synthesis of benzoyliminoacetaldehyde diethyl acetal from potassium phthalimide salt and bromoacetaldehyde diethyl acetal was as follows: potassium phthalimide (5 g, 26.5 mmol), bromoacetaldehyde diethyl acetal (4.1 mL, 26.5 mmol), and cetyltributylphosphonium bromide (13.8 g, 26.5 mmol) were reacted under nitrogen protection in toluene ( 200 mL) at 111°C for 24 hours under nitrogen protection. After completion of the reaction, the mixture was filtered and the filtrate was concentrated by rotary evaporation to give a yellow oil. The target compound was purified by column chromatography (eluent: hexane/ether=1:1). The yield was 70%. Elemental analysis results (calculated value C14H17NO4, 263.29): C 63.8, H 6.4, N 5.3; measured value: C 64.6, H 6.5, N 5.3. 1H NMR (300MHz, CDCl3): δ7.8-7.6 (m, 4H), 4.79 (t, 1H), 3.75 (d, 2H), 3.62-3.42 (m, 4H), 1.06 (t, 6H).ES-MS: m/z 264.IR: ν(C-O-C) 2800, (C=O) 1721 cm-1. | [References]
[1] Russian Journal of General Chemistry, 2007, vol. 77, # 1, p. 98 - 102
[2] Journal of Chemistry, 2015, vol. 2015,
[3] Patent: WO2017/32840, 2017, A1. Location in patent: Page/Page column 264; 265
[4] Journal of Pharmacy and Pharmacology, 1952, vol. 4, p. 693,705 |
|
|