ChemicalBook--->CAS DataBase List--->1076-74-0

1076-74-0

1076-74-0 Structure

1076-74-0 Structure
IdentificationMore
[Name]

5-METHOXY-2-METHYLINDOLE
[CAS]

1076-74-0
[Synonyms]

5-METHOXY-2-METHYLINDOLE
AKOS JY2082626
5-Methoxy-2-methylindole, 99+%
5-Methoxy-2-methyindole
[EINECS(EC#)]

214-066-5
[Molecular Formula]

C10H11NO
[MDL Number]

MFCD00005620
[Molecular Weight]

161.2
[MOL File]

1076-74-0.mol
Chemical PropertiesBack Directory
[Appearance]

white to light beige crystalline powder or
[Melting point ]

86-88 °C (lit.)
[Boiling point ]

145 °C / 1.5mmHg
[density ]

1.0840 (rough estimate)
[refractive index ]

1.5200 (estimate)
[storage temp. ]

0-6°C
[solubility ]

Soluble in methanol (very faint turbidity.)
[form ]

Crystalline Powder or Crystals
[pka]

17.28±0.30(Predicted)
[color ]

White to light beige
[Detection Methods]

HPLC,NMR
[InChI]

InChI=1S/C10H11NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-6,11H,1-2H3
[InChIKey]

VSWGLJOQFUMFOQ-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=C(OC)C=C2)C=C1C
[CAS DataBase Reference]

1076-74-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29339900
[Storage Class]

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

Acetone-->Sodium bicarbonate-->Zinc chloride-->4-Methoxyphenylhydrazine hydrochloride
[Preparation Products]

3-Cyano-5-methoxy-2-methylindole-->2-Chloro-1-(5-methoxy-2-methyl-1H-indol-3-yl)-ethanone-->1,2-Dimethyl-5-methoxyindole-->(5-Methoxy-2-methyl-1H-indol-3-yl)-acetic acid ethyl ester-->2,3-dihydro-5-Methoxy-2-Methyl-1H-Indole
Questions and Answers (Q&A)Back Directory
[Description]

5-methoxy-2-methylindole is a useful organic raw material. It can be used as the reactant in the preparation of indolylquinoxalines by condensation reactions, in preparation of alkylindoles via Ir-catalyzed reductive alkylation, in arylation reactions in the presence of a palladium acetate catalyst, in enantioselective Friedel-Crafts alkylation, as well as in stereo selective synthesis of cyclopentaindolones via stereoselective [3+2] cyclopentannulation. It is also employed in inhibiting the chlorinating activity of myeloperoxidase (MPO) and in the metabolic synthesis of acrylacetic acid anti-inflammatory synthesis.
[References]

https://www.alfa.com/en/catalog/B21348/
http://www.sigmaaldrich.com/catalog/product/aldrich/m15451?lang=en&region=US
https://pubchem.ncbi.nlm.nih.gov/compound/5-Methoxy-2-methylindole#section=2D-Structure
Hazard InformationBack Directory
[Chemical Properties]

white to light beige crystalline powder or
[Uses]

An indole derivative shown to be an effective inhibitor of the chlorinating activity of myeloperoxidase (MPO). Used in the metabolic synthesis of arylacetic acid antiinflammatory synthesis.
[Uses]

It is employed as a reactant in preparation of indolylquinoxalines by condensation reactions, reactant in preparation of alkylindoles via Ir-catalyzed reductive alkylation, reactant in arylation reactions using a palladium acetate catalyst, reactant in enantioselective Friedel-Crafts alkylation and reactant in stereoselective synthesis of cyclopentaindolones via stereoselective [3+2] cyclopentannulation. As an indole derivative shown to be an effective inhibitor of the chlorinating activity of myeloperoxidase (MPO). Used in the metabolic synthesis of arylacetic acid anti-inflammatory synthesis.
[Uses]

reactant in preparation of indolylquinoxalines by condensation reactions1reactant in preparation of alkylindoles via Ir-catalyzed reductive alkylation2reactant in arylation reactions using a palladium acetate catalyst3reactant in enantioselective Friedel-Crafts alkylation4reactant in stereoselective synthesis of cyclopentaindolones via stereoselective [3+2] cyclopentannulation5
[Definition]

ChEBI: 5-Methoxy-2-methyl-1H-indole is a member of indoles.
Spectrum DetailBack Directory
[Spectrum Detail]

5-METHOXY-2-METHYLINDOLE(1076-74-0)MS
5-METHOXY-2-METHYLINDOLE(1076-74-0)1HNMR
5-METHOXY-2-METHYLINDOLE(1076-74-0)13CNMR
5-METHOXY-2-METHYLINDOLE(1076-74-0)IR1
5-METHOXY-2-METHYLINDOLE(1076-74-0)IR2
5-METHOXY-2-METHYLINDOLE(1076-74-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Methoxy-2-methylindole, 99+%(1076-74-0)
[Alfa Aesar]

5-Methoxy-2-methylindole, 99+%(1076-74-0)
[Sigma Aldrich]

1076-74-0(sigmaaldrich)
[TCI AMERICA]

5-Methoxy-2-methylindole,>99.0%(GC)(1076-74-0)
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