9-Ethyl-3-carbazolecarboxaldehyde
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9-Ethyl-3-carbazolecarboxaldehyde
structure -
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CAS No:
7570-45-8
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Formula:
C15H13NO
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Chemical Name:
9-Ethyl-3-carbazolecarboxaldehyde
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Synonyms:
9H-Carbazole-3-carboxaldehyde,9-ethyl-;Carbazole-3-carboxaldehyde,9-ethyl-;9-Ethyl-9H-carbazole-3-carboxaldehyde;N-Ethylcarbazole-3-carboxaldehyde;N-Ethyl-3-formylcarbazole;3-Formyl-N-ethylcarbazole;9-Ethyl-3-carbazolecarboxaldehyde;3-Formyl-9-ethylcarbazole;N-Ethylcarbazol-3-aldehyde;9-Ethyl-3-formylcarbazole;NSC 231558;N-Ethyl-9H-carbazole-3-aldehyde;9-Ethyl-3-formyl-9H-carbazole;N-Ethylcarbazole-3-aldehyde;9-Ethyl-9H-carbazole-3-aldehyde;9-Ethylcarbazole-3-carbaldehyde;9-Ethyl-9H-carbazole-3-carbaldehyde;10-Ethyl-10H-carbazole-3-carbaldehyede;1001099-83-7
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CAS No:
9-Ethyl-3-carbazolecarboxaldehyde Basic Attributes
223.27
223.27
231-471-2
ZVF6H6ZPE4
231558
DTXSID10226613
2933990090
Characteristics
22
3.1
Yellow to ochre Crystalline Powder or Granules
1.1±0.1 g/cm3
88 °C
255 °C / 15mmHg
163.5±22.9 °C
1.619
Refrigerator (+4°C)
Safety Information
NONH for all modes of transport
3
22-36
26-36
Xn,Xi
Stable at room temperature in closed containers under normal storage and handling conditions.
P305 + P351 + P338
H302-H319
|Warning|H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|Not Classified
9-Ethyl-3-carbazolecarboxaldehyde Use and Manufacturing
POC1Synthesis of 9-ethvl-9jJ-carbazole-3-carbaldehvde (compound .21 [0198] POClj (2.3 mL, 10.25 mmol) was added, over a period of 10 min to an ice-cooled, stiiied DMF (5 mL) and Carbazole 9.1 (1.0 g, 5.13 mmol) under argon. The solution was allowed to stir at room temperature for 16 h. The reaction nuxtuie was cooled and men poured into crushed ice. After wanning to room temperature, the resultant product was extracted into ethyl acetate, and the organic phase was washed wim water, brine, dried (MgSO^), filtered, and evaporated in vacuo. The obtained residue was purified by cohimn chromatography on silica gel using heptanes ethyl acetate in different proportions to afford the title compound as a white solid (1.016g, 88.8percent)DMF (0.4 ml)was added into a dried round-bottom flask and thesystem was cooled to 0 °C. A solution of CHCl3 (3 ml) containing1ae1i (5 mmol) was then added following the addition of redistilled POCl3 (0.45 mL). Then, the solution mixture was heated to 90 °C for 8 h. After most of the CHCl3 was removed the residue waspoured into ice water and the pH was then adjusted to 7-8 using NaHCO3, the water layer was extracted with CH2Cl2 and organiclayer was washed with water several times before being dried with Mg2SO4, after CH2Cl2 was removed, the crude product was purifiedby column chromatography using ethyl acetate/petroleum ether(1:10, V/V) as an eluent, and finally a primrose solid was obtainedfor 2a-2i in 62e81percent yields. 5.3.1. Synthesis of 9-ethyl-9H-carbazole-3-carbaldehyde (2a)Compound 1a was used as reactants to give 2a. White solid, yield: 79percent. 1H NMR (400 MHz, CDCl3-d6) d 10.08 (s, 1H), 8.62 (d, J 1.1 Hz, 1H), 8.16 (d, J 7.8 Hz, 1H), 8.02 (dd, J 8.5, 1.5 Hz, 1H), 7.59-7.51 (m, 1H), 7.48 (t, J 7.6 Hz, 2H), 7.37-7.29 (m, 1H), 4.42 (q, J 7.2 Hz, 2H), 1.48 (t, J 7.3 Hz, 3H).General procedure: A glass vial fitted with magnetic stirrer and a magnetic bar containing a reaction mixture of alcohol (0.1 mmol), NH
Computed Properties
Molecular Weight:223.27
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:223.099714038
Monoisotopic Mass:223.099714038
Topological Polar Surface Area:22
Heavy Atom Count:17
Complexity:291
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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9-Ethyl-3-carbazolecarboxaldehyde
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