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2436-17-1

2436-17-1 Structure

2436-17-1 Structure
IdentificationMore
[Name]

5-Methoxyindole-3-acetonitrile
[CAS]

2436-17-1
[Synonyms]

(5-METHOXY-1H-INDOL-3-YL)ACETONITRILE
5-METHOXY-3-INDOLYLACETONITRILE
5-METHOXYINDOLE-3-ACETONITRILE
2-(5-Methoxy-1H-indol-3-yl)acetonitrile
5-METHOXY-3-INDOLYLACETONITRILE 97%
[Molecular Formula]

C11H10N2O
[MDL Number]

MFCD02094163
[Molecular Weight]

186.21
[MOL File]

2436-17-1.mol
Chemical PropertiesBack Directory
[Appearance]

Brown powder
[Melting point ]

65-69 °C (lit.)
[Boiling point ]

175-177 °C(Press: 0.01 Torr)
[density ]

1.224±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

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

Solid
[pka]

16.02±0.30(Predicted)
[color ]

Very Dark Brown
[InChI]

InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3
[InChIKey]

ZBQCXEREMRGOCO-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=C(OC)C=C2)C(CC#N)=C1
[CAS DataBase Reference]

2436-17-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xi
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
[Storage Class]

13 - Non Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Brown powder
[Uses]

Reactant for preparation of (-)- and (+)-debromoflustramine B and its analogues as selective butyrylcholinesterase inhibitors
Reactant for preparation of carboline analogs as potent MAPKAP-K2 inhibitors
Reactant for preparation of indole-N-acetic acid derivatives as aldose reductase inhibitors for diabetic complications treatment
Reactant for preparation of debromoflustramine B and labeled Me(3a)-13C-physostigmine
Reactant for preparation of physostigmine and physovenine
Reactant for preparation of phenethyl substituted indole derivatives as melatoninergic agonists and antagonists
[Uses]

5-Methoxyindole-3-acetonitrile is a versatile reactant used in the preparation of indole-N-acetic acid derivatives as aldose reductase inhibitors for diabetic complications treatment. It is also used in the synthesis of carboline analogs as potent MAPKAP-K2 inhibitors.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Methoxyindole-3-acetonitrile(2436-17-1)1HNMR
5-Methoxyindole-3-acetonitrile(2436-17-1)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2436-17-1(sigmaaldrich)
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