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ChemicalBook--->CAS DataBase List--->18184-75-3

18184-75-3

18184-75-3 Structure

18184-75-3 Structure
IdentificationBack Directory
[Name]

6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine
[CAS]

18184-75-3
[Synonyms]

NSC 151664
2,3-Pyridinedicarboximide,N-benzyl
N-Benzyl- 2,3-pyridinedicarboximide
6-Benzylpyrrolo[3,4-b]pyridine-5,7-dione
6-Benzyl-6H-pyrrolo[3,4-b]pyridine- 5,7-dione
6-Benzyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
6-benzyl-5H,6H,7H-pyrrolo[3,4-b]pyridine-5,7-dione
6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridin
6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine
6-(Phenylmethyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
[Molecular Formula]

C14H10N2O2
[MDL Number]

MFCD02930145
[MOL File]

18184-75-3.mol
[Molecular Weight]

238.24
Chemical PropertiesBack Directory
[Appearance]

Off-White Solid
[Melting point ]

154-156°C
[Boiling point ]

418.9±28.0 °C(Predicted)
[density ]

1.368±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

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

Solid
[pka]

-0.78±0.20(Predicted)
[color ]

Off-White
[InChI]

InChI=1S/C14H10N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-8H,9H2
[InChIKey]

DWUBVULEMQOCPO-UHFFFAOYSA-N
[SMILES]

C12C(=O)N(CC3=CC=CC=C3)C(=O)C1=CC=CN=2
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Synthesis]

Quinolinic acid

89-00-9

Benzylamine

100-46-9

6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine

18184-75-3

6-Benzyl-6H-pyrrolo[3,4-B]pyridine-5,7-dione was synthesized using 2,3-pyridinedicarboxylic acid and benzylamine as raw materials by the same method as described previously, and the reaction conditions were adjusted to react at 150 °C for 18-26 hours. After completion of the reaction, the crude product was purified using a 15 cm x 2.5 cm silica gel column with a hexane solution of 60-80% ethyl acetate as eluent. The yield of the purified product was recorded in Table 3. Special note: Saturated NH4Cl solution was used instead of 1 M HCl in the step of washing pyridine derivatives.

[References]

[1] Tetrahedron, 2015, vol. 71, # 48, p. 9101 - 9111
[2] Patent: CN105777750, 2016, A. Location in patent: Paragraph 0024; 0025; 0040
[3] Asian Journal of Chemistry, 2013, vol. 25, # 15, p. 8701 - 8707
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H317
[Precautionary statements ]

P280
Spectrum DetailBack Directory
[Spectrum Detail]

6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine(18184-75-3)1HNMR
6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine(18184-75-3)13CNMR
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