ChemicalBook--->CAS DataBase List--->122852-75-9

122852-75-9

122852-75-9 Structure

122852-75-9 Structure
IdentificationMore
[Name]

2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one
[CAS]

122852-75-9
[Synonyms]

1H-PYRIDO[4,3-B]INDOL-1-ONE, 2,3,4,5-TETRAHYDRO-5-METHYL-
2,3,4,5-TETRAHYDRO-5-METHYL-1H-PYRIDO[4,3-B]INDOL-1-ONE
2,3,4,5-TETRA-HYDRO-5-METHYL-1H-PYRIDO[4,3-B]INDOL-1-ONE(ETHAMBUTOL)
[Molecular Formula]

C12H12N2O
[MDL Number]

MFCD08458716
[Molecular Weight]

200.24
[MOL File]

122852-75-9.mol
Chemical PropertiesBack Directory
[Melting point ]

234-238 °C(Solv: ethanol (64-17-5))
[Boiling point ]

508.0±39.0 °C(Predicted)
[density ]

1.31±0.1 g/cm3(Predicted)
[storage temp. ]

2-30°C
[pka]

14.83±0.20(Predicted)
[Appearance]

Off-white to gray Solid
[Major Application]

pharmaceutical
[InChI]

1S/C12H12N2O/c1-14-9-5-3-2-4-8(9)11-10(14)6-7-13-12(11)15/h2-5H,6-7H2,1H3,(H,13,15)
[InChIKey]

GLHMAFAXJJECMG-UHFFFAOYSA-N
[SMILES]

[n]1(c2c(c3c1CCNC3=O)cccc2)C
[CAS DataBase Reference]

122852-75-9(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

WGK 3
[HS Code ]

2933790002
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Sodium-->Ethyl acrylate-->Ethanethiol-->Picric acid-->Benzyltrimethylammonium hydroxide-->1-Methyl-1-phenylhydrazine-->Ethyl malonyl chloride-->N-phenylsulfanylbenzenesulfenamide
Hazard InformationBack Directory
[Uses]

2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one is useful for preparation of cyclic anti-azacarboxylation of alkynylanilines with carbon dioxide for preparation of indole-3-carboxylic acids.
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