Encyclopedia / Pharmaceutical Intermediates / Dyestuff Intermediates / Organic Intermediate

1-METHYL-2-INDOLINONE

CAS：61-70-1
MW:147.17386
MF：C9H9NO

1-Methyl-2-oxindole is used in the prevention and therapy of atherosclerotic degradation of arterial walls.

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Names and ldentifier
Properties
Use and Manufacturing
Safety and Handling
Msds
Other Information
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 1-METHYL-2-INDOLINONE

1.2 Synonyms: 1,3-dihydro-1-methyl-2h-indol-2-on; 1-METHYL-1,3-DIHYDRO-2H-INDOL-2-ONE; 1-Methyl-2-oxindole; 1-methylindolin-2-one; 1-METHYLOXINDOLE; 2,3-DIHYDRO-1-METHYLINDOL-2-ONE; 2H-Indol-2-one, 1,3-dihydro-1-methyl-; 2-INDOLINONE,1-METHYL; EINECS 231-391-8; MFCD00030253; N-Methyl-2-indolinone; N-METHYL-2-OXINDOLE; N-Methylindol-2(3H)-one; N-methyl-indol-2-one; N-METHYLOXINDOLE; TIMTEC-BB SBB006878;

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1.3 CAS No.: 61-70-1

1.4 CID: 6096

1.5 EINECS: 231-391-8

1.6 Molecular Formula: C9H9NO

1.7 Inchi: InChI=1S/C9H9NO/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3

1.8 InChkey: RSQUAQMIGSMNNE-UHFFFAOYSA-N

1.9 Canonical Smiles: CN1C(=O)CC2=CC=CC=C21

1.10 Isomers Smiles: CN1C(=O)CC2=CC=CC=C21

2. Properties

2.1 Solubility: 略溶 (13 g/L) (25 oC),

2.2 Chemical Properties: Light-Yellow Solid

2.3 pKa: 0.40±0.20(Predicted)

2.4 StorageTemp: Sealed in dry,Room Temperature

3. Use and Manufacturing

3.1 Description: Light-Yellow Solid

3.2 Usage: 1-Methyl-2-oxindole is used in the prevention and therapy of atherosclerotic degradation of arterial walls.

4. Safety and Handling

4.1 Safety: Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing

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4.2 Specification: Light-Yellow Solid
usageEng:1,4-Dihydropyridine derivative used in the prevention and therapy of atherosclerotic degradation of arterial walls
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity – single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation H335 May cause respiratory irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P312 Call a POISON CENTER/doctor/…if you feel unwell.
Storage	P403+P233 Store in a well-ventilated place. Keep container tightly closed. P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Synthesis Route

61-70-1Total: 45 Synthesis Route

91-56-5 204 Suppliers

61-70-1 21 Suppliers

95-51-2 148 Suppliers

61-70-1 21 Suppliers

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7. Precursor and Product

precursor:

100-61-8

533-17-5

2058-74-4

611-21-2

95-51-2

2620-05-5

603-76-9

2584-48-7

91-56-5

product:

67342-12-5

2058-74-4

65610-58-4

54778-21-1

20870-91-1

13637-38-2

20870-90-0

24438-17-3

824-21-5

2058-72-2

8. Computed Properties

Molecular Weight：147.17386g/mol
Molecular Formula：C₉H₉NO
Compound Is Canonicalized：True
Exact Mass：1
XLogP3-AA：147.068413911
Monoisotopic Mass：147.068413911
Complexity：178
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：20.3
Heavy Atom Count：：11
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccByIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgAAAAAADAiBmAQywIMAAACIAiVSUACCAAAhAgAIiAEIZIgIIDLAlZGEIAhghgDIyAcciICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

9.Other Information

Chemical Properties: Light-Yellow Solid

Uses: 1-Methyl-2-indolone is a reactant for preparation of fluorescent analogues of strigolactones as affectors of parasitic weed germination and fungal branching, irreversible Nek2 Kinase Inhibitors and anticancer agents.

Uses

Reactant for preparation of:

Fluorescent analogues of strigolactones as affectors of parasitic weed germination and fungal branching
Irreversible Nek2 Kinase Inhibitors
Anticancer agents
Antimalarial agents
Antitimor agents
Germination stimulants in plants
Inducers of NAD(P)H-quinone oxidoreductase 1 (NQO1)
Retinoic acid analogs
Potential anti-multiple sclerosis agents
Inhibitors of human immunodeficiency virus type 1 (HIV-1) integrase

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