Methyl 6-nitro-2-indolinecarboxylate

Basic Information

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CAS Number

428861-43-2

Molecular Formula

C10H10N2O4

Molecular Weight

222.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

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

Basic Physical Properties

Boiling Point

361 ºC

Flash Point

172 ºC

SMILES

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COC(=O)C1CC2=C(N1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O4/c1-16-10(13)9-4-6-2-3-7(12(14)15)5-8(6)11-9/h2-3,5,9,11H,4H2,1H3

InChIKey

PEFQAKIOILEYAZ-UHFFFAOYSA-N

LogP

1.76560

Complexity

302

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

A846669
methyl 6-nitroindoline-2-carboxylate;METHYL 6-NITRO-INDOLINE-2-CARBOXYLATE
428861-43-2
PEFQAKIOILEYAZ-UHFFFAOYSA-N
METHYL 6-NITRO-INDOLINE-2-CARBOXYLATE
DTXSID90476194
AS-38183
methyl 6-nitro-2,3-dihydro-1H-indole-2-carboxylate
methyl 6-nitroindoline-2-carboxylate
FT-0745245
CS-0172511
SB64477
6-Nitro-2,3-dihydro-1H-indole-2-carboxylic acid methyl ester
SCHEMBL3417137
FT-0660729
Methyl6-nitroindoline-2-carboxylate
AKOS027327691
AM20040458
MFCD11053695
1H-Indole-2-carboxylicacid, 2,3-dihydro-6-nitro-, methyl ester
2,3-Dihydro-6-nitro-1H-indole-2-carboxylic acid methyl ester

MDL Number

MFCD11053695

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Methyl 6-nitro-2-indolinecarboxylate (CAS: 428861-43-2)?

Methyl 6-nitro-2-indolinecarboxylate (CAS: 428861-43-2) is a white crystalline solid with a molecular weight of approximately 221.08 g/mol. It is soluble in common organic solvents like ethanol and acetone. The compound is moderately reactive, particularly towards nucleophiles. It is stable under neutral and slightly acidic conditions but can undergo hydrolysis under basic conditions.

How is Methyl 6-nitro-2-indolinecarboxylate (CAS: 428861-43-2) typically synthesized?

Methyl 6-nitro-2-indolinecarboxylate (CAS: 428861-43-2) can be synthesized by the nitration of 2-indolinecarboxylic acid with concentrated nitric acid in the presence of a catalyst like sulfuric acid. The reaction is typically carried out at room temperature, and the product is purified by recrystallization from ethanol. The yield is generally around 80-85%.

What industries use Methyl 6-nitro-2-indolinecarboxylate (CAS: 428861-43-2)?

Methyl 6-nitro-2-indolinecarboxylate (CAS: 428861-43-2) is primarily used in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also utilized in the preparation of materials for sensors and in some semiconductor applications due to its specific chemical properties.

What precautions should be taken when handling Methyl 6-nitro-2-indolinecarboxylate (CAS: 428861-43-2)?

When handling Methyl 6-nitro-2-indolinecarboxylate (CAS: 428861-43-2), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. Spills should be carefully cleaned up using absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific safety guidelines.