5-Methoxy-2-methylindole - CAS 1076-74-0

Catalog:	BB002119
Product Name:	5-Methoxy-2-methylindole
CAS:	1076-74-0
Synonyms:	5-methoxy-2-methyl-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	5-methoxy-2-methyl-1H-indole
Description:	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.
Molecular Weight:	161.20
Molecular Formula:	C10H11NO
Canonical SMILES:	CC1=CC2=C(N1)C=CC(=C2)OC
InChI:	InChI=1S/C10H11NO/c1-7-5-8-6-9(12-2)3-4-10(8)11-7/h3-6,11H,1-2H3
InChI Key:	VSWGLJOQFUMFOQ-UHFFFAOYSA-N
Boiling Point:	145 °C / 1.5 mmHg
Density:	1.134 g/cm³
MDL:	MFCD00005620
LogP:	2.48490

Publication Number	Title	Priority Date
CN-111822047-A	Method for synthesizing indole derivatives by magnetic mesoporous polymeric ionic liquid supported catalysis	20200717
WO-2021203007-A1	Substituted 5-hydroxyindole compounds as modulators of alpha-1 antitrypsin	20200403
CN-111253297-A	Process method for preparing 5-methoxy-2-methylindole	20200331
CN-109761875-A	A kind of new method constructing amido bond	20190219
CN-108358841-A	A kind of 4- ((2- substd quinolines -4- bases) amino) benzoyl hydrazine analog derivative and the preparation method and application thereof	20180326

PMID	Publication Date	Title	Journal
16258625	20051101	Indole ring oxidation by activated leukocytes prevents the production of hypochlorous acid	Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.084063974
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.084063974
Rotatable Bond Count:	1
Topological Polar Surface Area:	25 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2