1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol

Basic Information

View in Editor

CAS Number

147591-46-6

Molecular Formula

C16H14N2O4

Molecular Weight

298.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Solubility

DMSO: ≥10mg/mL

SMILES

View in Editor

CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O4/c1-10-16(18(20)21)14-8-5-12(19)9-15(14)17(10)11-3-6-13(22-2)7-4-11/h3-9,19H,1-2H3

InChIKey

VVZNWYXIOADGSW-UHFFFAOYSA-N

Complexity

405

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

ID8
1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol
ID-8
1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol ID8
ID 8
1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol
BAS 00667177
Cambridge id 5280205
Oprea1_439044
Oprea1_684907
CBDivE_013358
MLS006011013
AOB5765
VVZNWYXIOADGSW-UHFFFAOYSA-N
HMS3653A14
BCP27795
s7327
2132AH
SMR004702811
BC600331
AK474021
AC-35282
DA-33565
AH-262/34226056
I1108
1-(4-Methoxyphenyl)-2-methyl-3-nitr o-1H-indol-6-ol
HY-15838
MFCD00593367
147591-46-6
NCGC00347945-01
P17036

MDL Number

MFCD00593367

FAQ

What are the physical and chemical properties of 1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol (CAS: 147591-46-6)?

1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol is a crystalline compound with a molecular weight of approximately 307.24 g/mol. It is slightly soluble in water and has a high solubility in organic solvents like ethanol and acetone. The compound is moderately reactive, particularly towards reducing agents and bases. It can undergo nitro reduction and methoxy substitution reactions.

How is 1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol (CAS: 147591-46-6) typically synthesized?

1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol is typically synthesized via a multi-step process. The first step involves the synthesis of the indole core, followed by nitration and methylation reactions. Commonly used reagents include nitric acid and methanol. The final step involves coupling reactions to introduce the required substituents. This method ensures good yield and selectivity.

What industries use 1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol (CAS: 147591-46-6)?

1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol is used in the pharmaceutical industry for the development of novel drug candidates. It also finds applications in the synthesis of organic dyes and pigments. Additionally, it is used in the field of materials science for the preparation of advanced polymers and sensors due to its unique chemical properties.

What precautions should be taken when handling 1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol (CAS: 147591-46-6)?

When handling 1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Proper storage in a cool, dry place away from direct sunlight is essential. In case of spillage, use absorbent material and consult the safety data sheet (SDS) for specific cleanup procedures.